 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer06_STD_B3LYPDBJ_def2SVPD.in
 Output=21_phenylethanol_conformer06_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-3021.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      3028.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer06_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:38:33 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer06_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 2.162345000000     -1.239247000000      0.453644000000
  C                                                 1.655725000000     -0.158939000000     -0.341230000000
  H                                                 1.881072000000     -1.094176000000      1.365099000000
  H                                                 1.854813000000     -0.482019000000     -1.367262000000
  C                                                 2.446699000000      1.114652000000     -0.080136000000
  C                                                 0.150796000000     -0.029950000000     -0.174166000000
  H                                                 2.272946000000      1.486730000000      0.932505000000
  H                                                 2.181966000000      1.904257000000     -0.785239000000
  H                                                 3.509095000000      0.900115000000     -0.189137000000
  C                                                -0.489673000000      1.190819000000      0.026062000000
  C                                                -1.872964000000      1.254695000000      0.167928000000
  C                                                -2.635845000000      0.097346000000      0.110092000000
  C                                                -2.007097000000     -1.127866000000     -0.090783000000
  C                                                -0.628986000000     -1.188612000000     -0.232307000000
  H                                                 0.084690000000      2.105244000000      0.074595000000
  H                                                -2.351327000000      2.213069000000      0.325179000000
  H                                                -3.711408000000      0.146804000000      0.220623000000
  H                                                -2.593574000000     -2.036616000000     -0.139348000000
  H                                                -0.138964000000     -2.142300000000     -0.378921000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 20:38:33 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.162345   -1.239247    0.453644
      2          6           0        1.655725   -0.158939   -0.341230
      3          1           0        1.881072   -1.094176    1.365099
      4          1           0        1.854813   -0.482019   -1.367262
      5          6           0        2.446699    1.114652   -0.080136
      6          6           0        0.150796   -0.029950   -0.174166
      7          1           0        2.272946    1.486730    0.932505
      8          1           0        2.181966    1.904257   -0.785239
      9          1           0        3.509095    0.900115   -0.189137
     10          6           0       -0.489673    1.190819    0.026062
     11          6           0       -1.872964    1.254695    0.167928
     12          6           0       -2.635845    0.097346    0.110092
     13          6           0       -2.007097   -1.127866   -0.090783
     14          6           0       -0.628986   -1.188612   -0.232307
     15          1           0        0.084690    2.105244    0.074595
     16          1           0       -2.351327    2.213069    0.325179
     17          1           0       -3.711408    0.146804    0.220623
     18          1           0       -2.593574   -2.036616   -0.139348
     19          1           0       -0.138964   -2.142300   -0.378921
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.433720   0.000000
     3  H    0.964837   1.958828   0.000000
     4  H    1.995913   1.093965   2.800218   0.000000
     5  C    2.430354   1.521790   2.699548   2.134568   0.000000
     6  C    2.429583   1.519658   2.548680   2.128736   2.567124
     7  H    2.769926   2.170620   2.646087   3.056098   1.092737
     8  H    3.378881   2.175052   3.702039   2.477921   1.091206
     9  H    2.608404   2.140025   3.007209   2.456608   1.089308
    10  C    3.622326   2.561149   3.554526   3.199430   2.939279
    11  C    4.752378   3.835264   4.587287   4.389682   4.329046
    12  C    4.992708   4.322840   4.837076   4.762798   5.186844
    13  C    4.206311   3.797079   4.151938   4.118357   4.986512
    14  C    2.874825   2.508385   2.976746   2.820754   3.845519
    15  H    3.955496   2.787039   3.889560   3.450539   2.565989
    16  H    5.684032   4.703933   5.471061   5.274417   4.938811
    17  H    6.039570   5.405116   5.841720   5.822337   6.240951
    18  H    4.858621   4.650050   4.813939   4.869568   5.944607
    19  H    2.608581   2.675079   2.867179   2.776418   4.169252
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.833471   0.000000
     8  H    2.870578   1.770099   0.000000
     9  H    3.484741   1.769255   1.767742   0.000000
    10  C    1.393043   2.922544   2.881815   4.015092   0.000000
    11  C    2.421352   4.222202   4.215794   5.405532   1.392013
    12  C    2.803993   5.167493   5.222820   6.204375   2.410145
    13  C    2.422576   5.118789   5.217690   5.877989   2.773541
    14  C    1.397833   4.115270   4.215806   4.635554   2.397468
    15  H    2.150652   2.430439   2.275583   3.639841   1.080935
    16  H    3.397219   4.720203   4.677514   6.027679   2.144813
    17  H    3.886350   6.173708   6.231553   7.271248   3.392256
    18  H    3.399925   6.102938   6.225226   6.772698   3.856176
    19  H    2.141940   4.550495   4.682567   4.754013   3.375898
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.387368   0.000000
    13  C    2.400317   1.391697   0.000000
    14  C    2.770815   2.407988   1.386690   0.000000
    15  H    2.136482   3.381453   3.854338   3.384230   0.000000
    16  H    1.082608   2.145576   3.384282   3.853399   2.451244
    17  H    2.147109   1.082358   2.150915   3.389662   4.274011
    18  H    3.383257   2.148907   1.082654   2.141812   4.936990
    19  H    3.852970   3.389626   2.145232   1.082191   4.277538
                   16         17         18         19
    16  H    0.000000
    17  H    2.475925   0.000000
    18  H    4.281856   2.479204   0.000000
    19  H    4.935539   4.285068   2.468537   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.54D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.162345   -1.239247    0.453644
      2          6           0        1.655725   -0.158939   -0.341230
      3          1           0        1.881072   -1.094176    1.365099
      4          1           0        1.854813   -0.482019   -1.367262
      5          6           0        2.446699    1.114653   -0.080136
      6          6           0        0.150796   -0.029950   -0.174166
      7          1           0        2.272946    1.486730    0.932505
      8          1           0        2.181966    1.904257   -0.785239
      9          1           0        3.509095    0.900116   -0.189137
     10          6           0       -0.489673    1.190819    0.026062
     11          6           0       -1.872964    1.254695    0.167928
     12          6           0       -2.635845    0.097345    0.110092
     13          6           0       -2.007097   -1.127866   -0.090783
     14          6           0       -0.628986   -1.188612   -0.232307
     15          1           0        0.084690    2.105244    0.074595
     16          1           0       -2.351327    2.213068    0.325179
     17          1           0       -3.711408    0.146803    0.220623
     18          1           0       -2.593574   -2.036617   -0.139348
     19          1           0       -0.138963   -2.142300   -0.378921
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4591964           1.1778731           0.9168715
 Leave Link  202 at Thu Aug 12 20:38:34 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   281 symmetry adapted cartesian basis functions of A   symmetry.
 There are   263 symmetry adapted basis functions of A   symmetry.
   263 basis functions,   391 primitive gaussians,   281 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.2302688959 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0326044860 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.1976644099 Hartrees.
 Leave Link  301 at Thu Aug 12 20:38:35 2021, MaxMem=  5368709120 cpu:               7.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   263 RedAO= T EigKep=  5.20D-06  NBF=   263
 NBsUse=   263 1.00D-06 EigRej= -1.00D+00 NBFU=   263
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   281   281   281   281   281 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 20:38:36 2021, MaxMem=  5368709120 cpu:               3.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:38:36 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer06_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:38:37 2021, MaxMem=  5368709120 cpu:               3.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368546127 LenY=  5368466725
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.865422761479    
 DIIS: error= 3.38D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.865422761479     IErMin= 1 ErrMin= 3.38D-03
 ErrMax= 3.38D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.80D-03 BMatP= 6.80D-03
 IDIUse=3 WtCom= 9.66D-01 WtEn= 3.38D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.232 Goal=   None    Shift=    0.000
 GapD=    0.232 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.37D-02 MaxDP=1.02D+00              OVMax= 1.97D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.57D-02    CP:  1.55D+00
 E= -385.871845962485     Delta-E=       -0.006423201006 Rises=F Damp=F
 DIIS: error= 5.55D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.871845962485     IErMin= 2 ErrMin= 5.55D-04
 ErrMax= 5.55D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-04 BMatP= 6.80D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.55D-03
 Coeff-Com:  0.362D-01 0.964D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.360D-01 0.964D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.07D-03 MaxDP=4.95D-02 DE=-6.42D-03 OVMax= 7.26D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.03D-04    CP:  1.57D+00  1.04D+00
 E= -385.871682428582     Delta-E=        0.000163533904 Rises=F Damp=F
 DIIS: error= 8.75D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -385.871845962485     IErMin= 2 ErrMin= 5.55D-04
 ErrMax= 8.75D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.98D-04 BMatP= 2.48D-04
 IDIUse=3 WtCom= 2.53D-01 WtEn= 7.47D-01
 Coeff-Com: -0.155D-01 0.594D+00 0.421D+00
 Coeff-En:   0.000D+00 0.625D+00 0.375D+00
 Coeff:     -0.391D-02 0.617D+00 0.387D+00
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.17D-04 MaxDP=4.31D-03 DE= 1.64D-04 OVMax= 4.47D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.07D-05    CP:  1.57D+00  1.04D+00  7.22D-01
 E= -385.872058820121     Delta-E=       -0.000376391540 Rises=F Damp=F
 DIIS: error= 9.57D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.872058820121     IErMin= 4 ErrMin= 9.57D-05
 ErrMax= 9.57D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-06 BMatP= 2.48D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.792D-02 0.226D+00 0.137D+00 0.645D+00
 Coeff:     -0.792D-02 0.226D+00 0.137D+00 0.645D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=3.31D-05 MaxDP=1.18D-03 DE=-3.76D-04 OVMax= 5.01D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.67D-05    CP:  1.57D+00  1.04D+00  6.87D-01  1.02D+00
 E= -385.872062187633     Delta-E=       -0.000003367512 Rises=F Damp=F
 DIIS: error= 4.21D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.872062187633     IErMin= 5 ErrMin= 4.21D-05
 ErrMax= 4.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.48D-07 BMatP= 3.67D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.164D-02 0.214D-01 0.427D-02 0.301D+00 0.675D+00
 Coeff:     -0.164D-02 0.214D-01 0.427D-02 0.301D+00 0.675D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.50D-05 MaxDP=1.12D-03 DE=-3.37D-06 OVMax= 2.54D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.14D-06    CP:  1.57D+00  1.04D+00  6.95D-01  1.01D+00  7.63D-01
 E= -385.872062716386     Delta-E=       -0.000000528753 Rises=F Damp=F
 DIIS: error= 9.79D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.872062716386     IErMin= 6 ErrMin= 9.79D-06
 ErrMax= 9.79D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.97D-08 BMatP= 5.48D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.634D-03 0.434D-02-0.220D-02 0.142D+00 0.368D+00 0.489D+00
 Coeff:     -0.634D-03 0.434D-02-0.220D-02 0.142D+00 0.368D+00 0.489D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=3.26D-06 MaxDP=8.78D-05 DE=-5.29D-07 OVMax= 1.29D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.85D-06    CP:  1.57D+00  1.04D+00  6.96D-01  1.01D+00  7.92D-01
                    CP:  8.66D-01
 E= -385.872062765372     Delta-E=       -0.000000048986 Rises=F Damp=F
 DIIS: error= 3.57D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.872062765372     IErMin= 7 ErrMin= 3.57D-06
 ErrMax= 3.57D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.57D-09 BMatP= 4.97D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.228D-04-0.191D-02-0.216D-02 0.179D-01 0.701D-01 0.284D+00
 Coeff-Com:  0.632D+00
 Coeff:     -0.228D-04-0.191D-02-0.216D-02 0.179D-01 0.701D-01 0.284D+00
 Coeff:      0.632D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.37D-06 MaxDP=3.62D-05 DE=-4.90D-08 OVMax= 4.08D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.09D-07    CP:  1.57D+00  1.04D+00  6.95D-01  1.01D+00  7.92D-01
                    CP:  8.92D-01  6.96D-01
 E= -385.872062772929     Delta-E=       -0.000000007557 Rises=F Damp=F
 DIIS: error= 7.75D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.872062772929     IErMin= 8 ErrMin= 7.75D-07
 ErrMax= 7.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.75D-10 BMatP= 6.57D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.168D-04-0.109D-02-0.911D-03 0.226D-02 0.174D-01 0.113D+00
 Coeff-Com:  0.306D+00 0.563D+00
 Coeff:      0.168D-04-0.109D-02-0.911D-03 0.226D-02 0.174D-01 0.113D+00
 Coeff:      0.306D+00 0.563D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.80D-07 MaxDP=7.42D-06 DE=-7.56D-09 OVMax= 6.64D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.05D-07    CP:  1.57D+00  1.04D+00  6.96D-01  1.01D+00  7.91D-01
                    CP:  8.89D-01  7.12D-01  7.31D-01
 E= -385.872062773177     Delta-E=       -0.000000000248 Rises=F Damp=F
 DIIS: error= 2.20D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.872062773177     IErMin= 9 ErrMin= 2.20D-07
 ErrMax= 2.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.27D-11 BMatP= 2.75D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.113D-04-0.295D-03-0.159D-03-0.139D-02-0.842D-03 0.202D-01
 Coeff-Com:  0.771D-01 0.294D+00 0.612D+00
 Coeff:      0.113D-04-0.295D-03-0.159D-03-0.139D-02-0.842D-03 0.202D-01
 Coeff:      0.771D-01 0.294D+00 0.612D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=9.29D-08 MaxDP=2.30D-06 DE=-2.48D-10 OVMax= 1.84D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.91D-08    CP:  1.57D+00  1.04D+00  6.96D-01  1.01D+00  7.92D-01
                    CP:  8.89D-01  7.14D-01  7.61D-01  7.00D-01
 E= -385.872062773241     Delta-E=       -0.000000000064 Rises=F Damp=F
 DIIS: error= 3.49D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.872062773241     IErMin=10 ErrMin= 3.49D-08
 ErrMax= 3.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-12 BMatP= 3.27D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.415D-05-0.793D-04-0.304D-04-0.689D-03-0.120D-02 0.324D-02
 Coeff-Com:  0.185D-01 0.100D+00 0.257D+00 0.623D+00
 Coeff:      0.415D-05-0.793D-04-0.304D-04-0.689D-03-0.120D-02 0.324D-02
 Coeff:      0.185D-01 0.100D+00 0.257D+00 0.623D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.26D-08 MaxDP=6.73D-07 DE=-6.43D-11 OVMax= 6.32D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.84D-08    CP:  1.57D+00  1.04D+00  6.96D-01  1.01D+00  7.92D-01
                    CP:  8.89D-01  7.14D-01  7.67D-01  7.19D-01  8.34D-01
 E= -385.872062773224     Delta-E=        0.000000000017 Rises=F Damp=F
 DIIS: error= 2.73D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -385.872062773241     IErMin=11 ErrMin= 2.73D-08
 ErrMax= 2.73D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.66D-13 BMatP= 1.15D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.101D-05-0.905D-05 0.180D-05-0.233D-03-0.616D-03-0.513D-03
 Coeff-Com:  0.169D-02 0.234D-01 0.743D-01 0.380D+00 0.522D+00
 Coeff:      0.101D-05-0.905D-05 0.180D-05-0.233D-03-0.616D-03-0.513D-03
 Coeff:      0.169D-02 0.234D-01 0.743D-01 0.380D+00 0.522D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=9.56D-09 MaxDP=3.05D-07 DE= 1.72D-11 OVMax= 3.58D-07

 SCF Done:  E(RB3LYP) =  -385.872062773     A.U. after   11 cycles
            NFock= 11  Conv=0.96D-08     -V/T= 2.0112
 KE= 3.816096430389D+02 PE=-1.745411851496D+03 EE= 5.527324812739D+02
 Leave Link  502 at Thu Aug 12 20:39:51 2021, MaxMem=  5368709120 cpu:             583.9 elap:              73.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   263
 NBasis=   263 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    263 NOA=    33 NOB=    33 NVA=   230 NVB=   230

 **** Warning!!: The largest alpha MO coefficient is  0.73012358D+02

 Leave Link  801 at Thu Aug 12 20:39:51 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5740 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.26D-13 8.33D-09 XBig12= 1.00D+00 5.08D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.26D-13 8.33D-09 XBig12= 4.15D-01 1.04D-01.
     11 vectors produced by pass  2 Test12= 1.26D-13 8.33D-09 XBig12= 4.92D-02 5.90D-02.
     11 vectors produced by pass  3 Test12= 1.26D-13 8.33D-09 XBig12= 3.08D-03 1.62D-02.
     11 vectors produced by pass  4 Test12= 1.26D-13 8.33D-09 XBig12= 2.35D-04 3.24D-03.
     11 vectors produced by pass  5 Test12= 1.26D-13 8.33D-09 XBig12= 9.54D-06 5.32D-04.
     11 vectors produced by pass  6 Test12= 1.26D-13 8.33D-09 XBig12= 2.23D-07 6.11D-05.
     11 vectors produced by pass  7 Test12= 1.26D-13 8.33D-09 XBig12= 2.43D-09 1.01D-05.
     11 vectors produced by pass  8 Test12= 1.26D-13 8.33D-09 XBig12= 2.55D-11 9.48D-07.
      7 vectors produced by pass  9 Test12= 1.26D-13 8.33D-09 XBig12= 2.73D-13 8.91D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   106 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.129858D+03
      2  0.116423D+01  0.106870D+03
      3 -0.288642D+01  0.276550D+01  0.688597D+02
 Isotropic polarizability for W=    0.085645      101.86 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.918897D+02 -0.818017D+01  0.107526D+02
      2   0.407152D+02  0.228404D+02 -0.511022D+01
      3   0.511745D+02 -0.146603D+02 -0.564235D+01
      4   0.224314D+02 -0.691817D+02 -0.178131D+02
      5   0.757981D+01 -0.179797D+02  0.145546D+02
      6  -0.647090D+01 -0.245264D+01  0.120560D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.147467D+01 -0.378834D+01 -0.547135D+01
      2   0.130102D+02 -0.743819D+01  0.576560D+01
      3   0.111291D+02  0.394545D+02  0.710907D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.166521D+00  0.265758D+01 -0.267162D+02
      2   0.317276D+01 -0.113422D+02 -0.366199D+02
      3   0.306116D+02  0.109897D+03  0.115088D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.206191D+00 -0.157668D+01 -0.927512D+00
      2  -0.157668D+01  0.145631D+01 -0.214541D+01
      3  -0.927512D+00 -0.214541D+01 -0.104571D+00
 OR G Eigenvalues:    -2.7438     0.7239     3.1654  Iso=    -0.3818
 Eigenvectors:
   (1)   0.562438   0.533714   0.631517
   (2)   0.784425  -0.102940  -0.611622
   (3)  -0.261423   0.839376  -0.476556
 w=    0.085645 a.u., Optical Rotation Beta=     -0.3818 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =     -148.24 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   34716 ScalPx= 5.71D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.00D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.11D-14 2.78D-09 XBig12= 1.00D+00 4.21D-01.
     30 vectors produced by pass  1 Test12= 2.11D-14 2.78D-09 XBig12= 3.79D-02 5.43D-02.
     30 vectors produced by pass  2 Test12= 2.11D-14 2.78D-09 XBig12= 7.43D-04 4.20D-03.
     30 vectors produced by pass  3 Test12= 2.11D-14 2.78D-09 XBig12= 6.48D-06 3.59D-04.
     30 vectors produced by pass  4 Test12= 2.11D-14 2.78D-09 XBig12= 4.62D-08 2.65D-05.
     30 vectors produced by pass  5 Test12= 2.11D-14 2.78D-09 XBig12= 1.53D-10 1.52D-06.
     30 vectors produced by pass  6 Test12= 2.11D-14 2.78D-09 XBig12= 3.30D-13 5.63D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   210 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 1.51D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 1.51D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.40D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129858D+03  0.116423D+01 -0.288642D+01
      2   0.116423D+01  0.106870D+03  0.276550D+01
      3  -0.288642D+01  0.276550D+01  0.688597D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.147467D+01 -0.378834D+01 -0.547135D+01
      2   0.130102D+02 -0.743819D+01  0.576560D+01
      3   0.111291D+02  0.394545D+02  0.710907D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.918897D+02 -0.818017D+01  0.107526D+02
      2   0.407152D+02  0.228404D+02 -0.511022D+01
      3   0.511745D+02 -0.146603D+02 -0.564235D+01
      4   0.224314D+02 -0.691817D+02 -0.178131D+02
      5   0.757981D+01 -0.179797D+02  0.145546D+02
      6  -0.647090D+01 -0.245264D+01  0.120560D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.442965D+01 -0.253606D+01  0.104180D+01 -0.524312D+01  0.355313D+01
      2  -0.253606D+01  0.212166D+01 -0.915465D+00  0.355313D+01 -0.456988D+01
      3   0.104180D+01 -0.915465D+00  0.156244D+01 -0.621768D+00  0.132223D+01
                 6             7             8             9            10 
      1  -0.621768D+00 -0.591438D+00 -0.655758D+00  0.110999D+01 -0.552770D+01
      2   0.132223D+01 -0.655758D+00  0.247983D+00 -0.933490D+00  0.109104D+01
      3  -0.398931D+00  0.110999D+01 -0.933490D+00 -0.532451D+01  0.114174D+01
                11            12            13            14            15 
      1   0.109104D+01  0.114174D+01  0.317739D+01 -0.472290D+01  0.178922D+00
      2  -0.238241D+01  0.377767D+00 -0.472290D+01  0.299955D+00 -0.788991D+00
      3   0.377767D+00 -0.101920D+01  0.178922D+00 -0.788991D+00  0.214808D+01
                16            17            18            19            20 
      1   0.280803D+01  0.200120D+00 -0.316329D+01 -0.102947D+01  0.209298D+00
      2   0.200120D+00 -0.104379D+01  0.291430D+01  0.209298D+00 -0.265095D+00
      3  -0.316329D+01  0.291430D+01  0.709297D+01  0.209174D+00  0.362068D+00
                21            22            23            24            25 
      1   0.209174D+00  0.586076D+00  0.177028D+00  0.873160D-01  0.255419D+01
      2   0.362068D+00  0.177028D+00 -0.591637D+00  0.617682D+00 -0.664139D+00
      3  -0.160259D+01  0.873160D-01  0.617682D+00  0.352489D+00  0.897998D+00
                26            27            28            29            30 
      1  -0.664139D+00  0.897998D+00  0.245242D+01 -0.430580D+00 -0.191724D+01
      2   0.183608D+01 -0.130336D+01 -0.430580D+00  0.710698D+00  0.305840D+00
      3  -0.130336D+01  0.729178D+01 -0.191724D+01  0.305840D+00  0.146879D+01
                31            32            33            34            35 
      1  -0.209423D+01  0.175792D+01  0.551429D+00 -0.517648D+01  0.720314D+00
      2   0.175792D+01 -0.125608D+01 -0.124523D+01  0.720314D+00 -0.158898D+01
      3   0.551429D+00 -0.124523D+01 -0.192947D+01  0.315250D+01 -0.196368D+01
                36            37            38            39            40 
      1   0.315250D+01 -0.719632D+01  0.217012D+01  0.864076D+00  0.452412D+01
      2  -0.196368D+01  0.217012D+01  0.279504D+01 -0.329169D+00  0.272301D+01
      3  -0.801144D+01  0.864076D+00 -0.329169D+00  0.151711D+01 -0.208067D+00
                41            42            43            44            45 
      1   0.272301D+01 -0.208067D+00  0.438302D+00  0.189836D+00  0.450094D+00
      2  -0.888101D+00  0.174688D+01  0.189836D+00  0.201287D+01 -0.399184D+01
      3   0.174688D+01 -0.405051D+01  0.450094D+00 -0.399184D+01 -0.374747D+01
                46            47            48            49            50 
      1   0.190779D+02 -0.239718D+01 -0.750751D+00 -0.228334D+01 -0.155789D+01
      2  -0.239718D+01  0.276130D+01 -0.673196D-01 -0.155789D+01 -0.234430D+00
      3  -0.750751D+00 -0.673196D-01  0.187915D+01 -0.437639D+00  0.148849D+00
                51            52            53            54            55 
      1  -0.437639D+00 -0.534466D+00 -0.332733D+00  0.399666D+01  0.204115D+00
      2   0.148849D+00 -0.332733D+00 -0.486877D-01 -0.403738D+00  0.403638D-01
      3  -0.487225D+00  0.399666D+01 -0.403738D+00 -0.140831D+01  0.675816D+00
                56            57            58            59            60 
      1   0.403638D-01  0.675816D+00  0.836670D-01  0.189359D+00  0.773366D-01
      2  -0.578320D+00 -0.106798D+00  0.189359D+00  0.188265D+01  0.118738D+01
      3  -0.106798D+00 -0.670587D+00  0.773366D-01  0.118738D+01  0.170155D+01
                61            62            63            64            65 
      1   0.205266D+01  0.775354D+00  0.621236D+00 -0.131658D+00  0.312118D+00
      2   0.775354D+00  0.208382D+01  0.236304D+01  0.312118D+00 -0.863223D+00
      3   0.621236D+00  0.236304D+01  0.611734D+01 -0.629543D+00  0.355706D+00
                66            67            68            69            70 
      1  -0.629543D+00  0.112856D+01  0.354510D+00 -0.653295D-01 -0.168261D+01
      2   0.355706D+00  0.354510D+00  0.530255D+01 -0.258248D+01 -0.551227D+00
      3  -0.616564D+00 -0.653295D-01 -0.258248D+01  0.259402D+01  0.115611D+00
                71            72            73            74            75 
      1  -0.551227D+00  0.115611D+00  0.122765D+02  0.407873D+00 -0.784838D+00
      2  -0.320391D+01  0.269540D+01  0.407873D+00  0.101901D+01 -0.110883D-01
      3   0.269540D+01 -0.296523D+01 -0.784838D+00 -0.110883D-01  0.108259D+01
                76            77            78            79            80 
      1  -0.196315D+01  0.832159D+00  0.696720D-01 -0.966378D+00 -0.794614D-01
      2   0.832159D+00 -0.307908D+00 -0.267522D+00 -0.794614D-01 -0.463872D+00
      3   0.696720D-01 -0.267522D+00  0.351578D-01  0.130229D+01  0.405462D+00
                81            82            83            84            85 
      1   0.130229D+01 -0.607021D+01 -0.814566D+00 -0.111565D+00  0.903593D+01
      2   0.405462D+00 -0.814566D+00  0.318404D+01  0.749458D+00  0.181344D-01
      3  -0.682300D-01 -0.111565D+00  0.749458D+00  0.121443D+01 -0.418486D-01
                86            87            88            89            90 
      1   0.181344D-01 -0.418486D-01  0.185045D+01 -0.199424D-01  0.174554D+01
      2   0.169779D+01 -0.602300D+00 -0.199424D-01 -0.962184D+00  0.364981D+01
      3  -0.602300D+00  0.191416D+01  0.174554D+01  0.364981D+01  0.398934D+00
                91            92            93            94            95 
      1   0.452046D+01 -0.678736D-01 -0.195635D+00  0.561480D+01  0.125441D+00
      2  -0.678736D-01 -0.245073D+01  0.285799D+00  0.125441D+00  0.880744D+00
      3  -0.195635D+00  0.285799D+00 -0.698064D+00  0.136063D+00 -0.586044D+00
                96            97            98            99           100 
      1   0.136063D+00  0.789581D-01  0.630363D+00 -0.221459D+01 -0.589054D+01
      2  -0.586044D+00  0.630363D+00 -0.574997D+00  0.380339D+01  0.207022D-01
      3   0.175823D+01 -0.221459D+01  0.380339D+01  0.160915D+01 -0.476573D+00
               101           102           103           104           105 
      1   0.207022D-01 -0.476573D+00  0.733704D+00  0.511885D+00  0.534191D+00
      2  -0.329531D+01 -0.112650D+00  0.511885D+00 -0.408932D+00 -0.261621D+00
      3  -0.112650D+00 -0.218158D+01  0.534191D+00 -0.261621D+00 -0.104302D+00
               106           107           108           109           110 
      1  -0.374160D+00  0.632019D+00 -0.552006D+01  0.333942D+01 -0.255976D+00
      2   0.632019D+00  0.252151D+00  0.111275D+00 -0.255976D+00 -0.272219D+01
      3  -0.552006D+01  0.111275D+00  0.973181D+00 -0.471608D+00 -0.679677D+00
               111           112           113           114           115 
      1  -0.471608D+00 -0.607729D+01  0.707444D+00  0.664995D+00 -0.145700D+01
      2  -0.679677D+00  0.707444D+00 -0.215366D+00  0.654426D+00  0.109336D+00
      3  -0.137618D+01  0.664995D+00  0.654426D+00 -0.176087D+01 -0.288499D+01
               116           117           118           119           120 
      1   0.109336D+00 -0.288499D+01 -0.506950D+01  0.198985D+01  0.122160D+00
      2   0.111839D+01 -0.353843D+01  0.198985D+01  0.291719D+01 -0.926246D-01
      3  -0.353843D+01 -0.274095D+00  0.122160D+00 -0.926246D-01  0.909774D+00
               121           122           123           124           125 
      1  -0.752345D+01  0.730227D+00 -0.297890D+00 -0.775413D-02 -0.490158D+00
      2   0.730227D+00 -0.149544D+01  0.575842D+00 -0.490158D+00  0.450806D-01
      3  -0.297890D+00  0.575842D+00 -0.166107D+01  0.928228D+00 -0.369470D+01
               126           127           128           129           130 
      1   0.928228D+00  0.317630D+01  0.225817D+01  0.186300D-01  0.232855D+01
      2  -0.369470D+01  0.225817D+01  0.236581D+01  0.430684D-01  0.275833D+01
      3  -0.168209D+01  0.186300D-01  0.430684D-01  0.149072D+00  0.132987D+00
               131           132           133           134           135 
      1   0.275833D+01  0.132987D+00 -0.252149D+00  0.124442D+00 -0.101251D+00
      2   0.675272D+01  0.348989D+00  0.124442D+00  0.470570D+00  0.100904D+00
      3   0.348989D+00  0.636535D+00 -0.101251D+00  0.100904D+00  0.318981D-01
               136           137           138           139           140 
      1  -0.296874D+01  0.307524D+01  0.540597D+00  0.277614D+01 -0.418800D+01
      2   0.307524D+01 -0.320392D+01 -0.552975D+00 -0.418800D+01  0.891160D+01
      3   0.540597D+00 -0.552975D+00 -0.493257D+00 -0.601450D+00  0.121957D+01
               141           142           143           144           145 
      1  -0.601450D+00  0.597976D+00 -0.755014D+00 -0.203916D+00 -0.134679D+02
      2   0.121957D+01 -0.755014D+00  0.134209D+01  0.303355D+00  0.423858D+00
      3   0.998963D+00 -0.203916D+00  0.303355D+00  0.176002D+00  0.114278D+01
               146           147           148           149           150 
      1   0.423858D+00  0.114278D+01  0.458382D+00 -0.164958D+01 -0.211151D+00
      2  -0.779875D+00 -0.188094D-01 -0.164958D+01  0.141712D+00  0.141875D+00
      3  -0.188094D-01 -0.101227D+01 -0.211151D+00  0.141875D+00  0.637031D-01
               151           152           153           154           155 
      1   0.129475D+01 -0.194930D+00 -0.191026D+00 -0.410548D+01 -0.366500D+01
      2  -0.194930D+00  0.770830D-01  0.350371D-01 -0.366500D+01 -0.367907D+01
      3  -0.191026D+00  0.350371D-01  0.159516D+00 -0.113937D+00 -0.894071D-01
               156           157           158           159           160 
      1  -0.113937D+00 -0.350624D+01 -0.466059D+01 -0.343030D+00 -0.173320D+00
      2  -0.894071D-01 -0.466059D+01 -0.798514D+01 -0.461747D+00 -0.185610D+00
      3  -0.494053D+00 -0.343030D+00 -0.461747D+00 -0.807438D+00 -0.768557D-01
               161           162           163           164           165 
      1  -0.185610D+00 -0.768557D-01  0.198081D+01 -0.183140D+01 -0.305080D+00
      2  -0.554573D+00 -0.238497D+00 -0.183140D+01  0.234540D+01  0.496276D+00
      3  -0.238497D+00 -0.104303D+00 -0.305080D+00  0.496276D+00  0.380994D+00
               166           167           168           169           170 
      1  -0.175650D+01  0.234038D+01  0.395262D+00 -0.459570D+00  0.547189D+00
      2   0.234038D+01 -0.791679D+01 -0.116778D+01  0.547189D+00 -0.104513D+01
      3   0.395262D+00 -0.116778D+01 -0.100306D+01  0.358254D-01 -0.314230D+00
               171 
      1   0.358254D-01
      2  -0.314230D+00
      3  -0.265094D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.158081D+01  0.112470D+01  0.319254D+01 -0.259361D+01  0.767130D+00
      2   0.105156D+01 -0.303388D+01  0.988419D+01  0.229420D+00  0.308964D+01
      3   0.213700D+01 -0.103248D+02  0.202935D+01 -0.156024D+01  0.983116D+01
                 6             7             8             9            10 
      1  -0.683468D+01 -0.470445D+00  0.130609D+01 -0.820685D+01 -0.490597D+00
      2  -0.176280D+01  0.376875D+01 -0.102712D+01 -0.119753D+02  0.182132D+01
      3  -0.233056D+01  0.180538D+01 -0.154364D+01  0.743639D+00 -0.254542D+01
                11            12            13            14            15 
      1   0.318680D+00 -0.111359D+00  0.325409D+01  0.174755D+01 -0.388373D+00
      2   0.523206D+00 -0.164630D+01 -0.830329D+00 -0.399263D+01  0.393978D+01
      3   0.208435D+01  0.188353D-01  0.159430D+02  0.331500D+00  0.217259D+01
                16            17            18            19            20 
      1   0.424661D+00  0.394617D+01 -0.154476D+01  0.372077D+00 -0.409572D+00
      2  -0.125115D+02  0.479101D+01  0.110728D+02  0.311706D+01  0.342818D+00
      3   0.495639D+00  0.397755D+01 -0.730049D+01  0.125384D+01  0.958502D+00
                21            22            23            24            25 
      1  -0.235357D+01 -0.197362D+00  0.143137D+01  0.268786D+00  0.767780D+00
      2  -0.367620D+01 -0.134596D+01  0.106300D+01  0.835447D+00 -0.259819D+01
      3  -0.106533D+01  0.106561D+01  0.702521D+00 -0.760752D+00 -0.301201D+00
                26            27            28            29            30 
      1   0.894098D+00  0.111654D+02 -0.223999D+00 -0.140619D+01  0.455436D-01
      2  -0.293405D+01  0.166815D+02 -0.222957D+01  0.601488D+00  0.304449D+01
      3  -0.299471D+01  0.365470D+01  0.596526D+00 -0.341567D+01 -0.379767D+00
                31            32            33            34            35 
      1  -0.190396D+01  0.101815D+01 -0.737273D+00  0.763640D-01  0.231741D+01
      2   0.306144D+00 -0.684661D+00 -0.355483D+01  0.139655D+01 -0.306098D+01
      3  -0.239106D+01  0.210572D+01  0.242075D+01 -0.425422D+00  0.273913D+01
                36            37            38            39            40 
      1  -0.239958D+00 -0.204746D+01 -0.391742D+00 -0.264711D+01 -0.101063D+01
      2  -0.133458D+02  0.317605D+01  0.877681D-01  0.633674D+01  0.791768D+00
      3   0.416143D+01 -0.178776D+02 -0.921399D+01  0.256735D+01 -0.153750D+01
                41            42            43            44            45 
      1  -0.429201D+01  0.333686D+01  0.111549D+01  0.755793D+01  0.404676D+01
      2   0.552939D+01 -0.107544D+02 -0.135554D+01 -0.111997D+02 -0.948966D+01
      3   0.754619D+01 -0.604772D+01  0.225681D+01 -0.562355D+01  0.144440D+02
                46            47            48            49            50 
      1   0.829018D+00  0.118976D+01  0.148854D+01  0.350067D+01 -0.174945D+01
      2  -0.194472D+01 -0.654489D+00 -0.593957D+00 -0.973794D+00 -0.421533D+00
      3   0.790300D+01  0.661573D+01  0.392391D-01  0.183150D+02  0.852890D+00
                51            52            53            54            55 
      1   0.123004D+01  0.300234D+00  0.108845D+02  0.121851D+01 -0.542373D+00
      2  -0.659416D+00 -0.138503D+02 -0.506511D+00 -0.191974D+00  0.292005D+01
      3  -0.288206D+00 -0.200061D+01 -0.310451D+01  0.379506D+00 -0.998483D+00
                56            57            58            59            60 
      1  -0.158799D+00  0.877054D+00 -0.160462D+00 -0.139903D+01 -0.410250D+01
      2  -0.145306D+00 -0.106456D+01 -0.475972D+00  0.304488D+01  0.501611D+01
      3   0.156863D+01  0.138693D+01  0.217185D+01 -0.512976D+01 -0.331410D+01
                61            62            63            64            65 
      1  -0.731059D+00 -0.805053D+00 -0.891597D+01  0.345540D+00 -0.152151D-01
      2  -0.162174D+01  0.608631D+01  0.161596D+02 -0.238832D+01  0.587644D+00
      3   0.139796D+01 -0.554782D+01 -0.729331D+01 -0.302082D+01  0.265992D+01
                66            67            68            69            70 
      1   0.132380D+01  0.229641D+00  0.167822D+01 -0.485161D+01  0.363889D+00
      2  -0.135139D+01  0.705779D+00 -0.627725D+01  0.634037D+01 -0.195406D+01
      3  -0.209684D+01  0.405048D+01 -0.149988D+02  0.766651D+01 -0.206159D+01
                71            72            73            74            75 
      1  -0.142371D+01  0.394562D+01  0.252938D+00 -0.319848D+00 -0.123194D+01
      2   0.606250D+01 -0.701873D+01 -0.545007D+00  0.232520D+00  0.551299D+01
      3   0.880554D+01 -0.803138D+01  0.139469D+02 -0.576693D+01 -0.104473D+01
                76            77            78            79            80 
      1  -0.191394D+00  0.388483D+00 -0.509696D+00 -0.110218D+01  0.527377D+00
      2   0.753815D-01 -0.543883D+00 -0.244144D+00  0.229792D+01  0.106503D+01
      3  -0.296043D+01  0.213020D+01  0.970584D+00 -0.114003D+01  0.144541D+01
                81            82            83            84            85 
      1  -0.167940D+00 -0.138295D+01  0.319195D+00 -0.219985D+01  0.101190D+01
      2   0.123713D+00 -0.253851D+01 -0.803994D-01 -0.119562D+01  0.285255D+01
      3  -0.318422D+00 -0.653372D+01 -0.108401D+01  0.134917D+01  0.452486D+01
                86            87            88            89            90 
      1   0.250797D+00 -0.207191D+01 -0.631104D+01  0.265944D+01  0.703028D+00
      2  -0.426766D+00 -0.739135D+00 -0.137575D+02 -0.326368D+00  0.671124D+00
      3   0.464783D+01 -0.761667D+00  0.183435D+01  0.462107D+00  0.550070D+01
                91            92            93            94            95 
      1   0.202503D+01 -0.802115D+00  0.140346D+01  0.180247D+00  0.456368D-01
      2   0.475025D+00  0.398665D+00  0.980707D+00  0.845693D+00  0.206016D+01
      3   0.420149D+01 -0.116103D+02 -0.115376D+01  0.617158D+01  0.113215D+01
                96            97            98            99           100 
      1  -0.222194D+01  0.567180D+01  0.142576D+01 -0.814465D+00 -0.120028D+00
      2  -0.429157D+01 -0.733810D+01 -0.103401D+02 -0.203257D+01 -0.396862D+00
      3  -0.140484D+01  0.100763D+00 -0.143940D+01  0.524174D+01 -0.829881D+00
               101           102           103           104           105 
      1   0.839016D+00  0.487943D+00  0.648746D-02 -0.184953D+01  0.139204D+01
      2   0.839572D-01  0.607988D+01 -0.225472D+01  0.153728D-01  0.574071D-01
      3  -0.671823D+01 -0.177161D+00  0.120322D+02 -0.324651D+01 -0.154540D+01
               106           107           108           109           110 
      1   0.130487D+01  0.120377D+02  0.116814D+01 -0.121728D+01 -0.468297D+00
      2   0.822457D+01 -0.577543D+00 -0.186341D+01  0.120933D+01  0.182006D+01
      3   0.186087D+01 -0.349945D+00 -0.708615D+00  0.125721D+01 -0.135641D+02
               111           112           113           114           115 
      1  -0.217201D+01  0.137172D+01  0.261370D+00 -0.179991D+01 -0.680823D+01
      2   0.208174D+01 -0.853168D+00 -0.172234D+01  0.416256D+01 -0.486532D+01
      3  -0.152906D+01  0.344054D+01  0.270618D+01  0.111399D+01  0.206435D+00
               116           117           118           119           120 
      1   0.279597D+01  0.158828D+01  0.261922D+00 -0.189957D+00  0.150181D+01
      2   0.104899D+02  0.173304D+01 -0.283985D+01  0.107972D+01 -0.940530D+00
      3   0.291967D+01 -0.436583D+01 -0.193739D+01 -0.202989D+01 -0.148222D+01
               121           122           123           124           125 
      1  -0.123286D+01 -0.462550D+00 -0.245944D+01  0.561789D+01  0.217347D+01
      2   0.541895D+00  0.616729D+00  0.175801D+01 -0.141371D+02  0.135696D+01
      3   0.581280D+00 -0.847661D+01 -0.984211D-01 -0.268216D+01  0.837878D+00
               126           127           128           129           130 
      1  -0.164160D+01  0.195476D+00  0.246812D+00 -0.136812D+01 -0.281959D+00
      2   0.201680D+01 -0.601316D+00 -0.131560D+00  0.206198D+00 -0.754196D-01
      3  -0.610855D+01  0.977421D+01  0.471824D+01 -0.636239D-01  0.808987D+01
               131           132           133           134           135 
      1  -0.294084D+00 -0.315163D+01  0.574968D+00  0.167002D+01 -0.116299D+00
      2  -0.440382D+00  0.838602D+00 -0.171406D+01 -0.401306D+00 -0.310012D-01
      3   0.702337D+01  0.450081D+00 -0.381891D+00  0.163899D+00 -0.981457D-01
               136           137           138           139           140 
      1  -0.251649D+00  0.152384D+00  0.190957D+01  0.133676D+00  0.173628D+00
      2  -0.505977D+00  0.730723D+00  0.196409D+01  0.568174D+00 -0.203683D+01
      3   0.943147D+00 -0.305465D+01 -0.414141D+00 -0.213833D+01  0.134763D+02
               141           142           143           144           145 
      1  -0.407150D+01 -0.532363D+00  0.163622D+01 -0.371939D+00 -0.149740D+00
      2  -0.319374D+01 -0.290158D+00  0.301029D+00 -0.423561D+00 -0.176971D+01
      3   0.174407D+01 -0.464243D+00  0.174777D+01  0.155983D+00 -0.406797D+00
               146           147           148           149           150 
      1  -0.347749D+00  0.263060D+00 -0.180237D+00 -0.142376D-01 -0.300936D+00
      2  -0.521172D-01  0.627847D+01  0.785769D+00 -0.289843D+00 -0.354897D+00
      3  -0.511729D+01  0.155996D+00 -0.416553D+01  0.328486D+00  0.358852D+00
               151           152           153           154           155 
      1  -0.551097D-01  0.427728D+00 -0.306347D-01  0.229416D+00  0.452310D+00
      2  -0.238517D+01 -0.381003D-01 -0.595800D+00 -0.445659D+00 -0.409011D+00
      3  -0.790928D+00  0.507813D+00  0.201943D+00 -0.127135D+01 -0.441388D+01
               156           157           158           159           160 
      1  -0.208630D+01 -0.132395D+00  0.169375D+00 -0.357054D+01  0.782469D+00
      2   0.233934D+01  0.193607D+00  0.358159D+00  0.314761D+01 -0.613481D+00
      3   0.167199D-01 -0.336764D+01 -0.125508D+02 -0.505152D+00 -0.298913D+00
               161           162           163           164           165 
      1   0.133860D+01 -0.165469D+00  0.333854D+00 -0.133363D+00  0.167694D+01
      2  -0.507641D+00  0.189431D+00  0.992122D+00 -0.599023D+00  0.189464D+00
      3  -0.131518D+01 -0.316829D+00 -0.717382D+01  0.427550D+01  0.457872D+00
               166           167           168           169           170 
      1  -0.360598D+00  0.746410D+00 -0.358552D+01 -0.408028D+00  0.206309D+01
      2  -0.108682D+01  0.105880D+01 -0.540963D+00 -0.162332D+01  0.185761D+00
      3   0.666216D+01 -0.783105D+01 -0.127800D+01  0.588794D+00 -0.168801D+01
               171 
      1  -0.234655D+00
      2  -0.242726D+00
      3   0.579017D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.177713D+02 -0.260316D+01 -0.126880D+01 -0.553918D+01 -0.235000D+01
      2  -0.797894D+01 -0.285977D+01 -0.274905D+01 -0.123134D+01  0.143684D+02
      3  -0.979237D+01  0.546293D+01  0.401785D+01  0.677052D+01 -0.120184D+02
      4  -0.170329D+02  0.210749D+02 -0.351242D+01  0.274786D+02 -0.268649D+02
      5   0.697286D+01 -0.417836D+01  0.139326D+02 -0.570295D+01  0.686863D+01
      6  -0.306040D+01  0.300140D+01 -0.556338D+01  0.509425D+01 -0.736194D+01
                 6             7             8             9            10 
      1   0.323401D+01  0.845447D+00 -0.442776D+00  0.111568D+02  0.113009D+02
      2  -0.260342D-02  0.129748D+01 -0.280141D+01  0.249987D+01 -0.631070D+01
      3  -0.323141D+01 -0.214293D+01  0.324419D+01 -0.136567D+02 -0.499025D+01
      4   0.706179D+01 -0.576331D+01  0.431958D+01 -0.889588D+01  0.599221D+01
      5  -0.431296D+01  0.129296D+02 -0.641078D+01 -0.172453D+02  0.473714D+01
      6   0.966279D+01 -0.525273D+01  0.593644D+01  0.772723D+01 -0.202547D+01
                11            12            13            14            15 
      1  -0.191653D+01  0.109039D+01 -0.508591D+01 -0.791187D+01  0.101384D+01
      2  -0.759772D+00 -0.204004D+01 -0.121580D+01 -0.104819D+01  0.143883D+01
      3   0.267630D+01  0.949657D+00  0.630171D+01  0.896007D+01 -0.245267D+01
      4  -0.203412D+02  0.718739D+00 -0.315596D+02  0.682328D+00 -0.458732D+01
      5   0.836986D+00 -0.104497D+02  0.368616D+01 -0.397330D+01  0.991918D+01
      6  -0.219965D+01  0.124281D+01 -0.275286D+01  0.202199D+01 -0.623931D+01
                16            17            18            19            20 
      1  -0.100083D+02  0.181401D+01 -0.371630D+00 -0.592299D+00 -0.210683D+01
      2  -0.707864D+01  0.669564D+01  0.114898D+02 -0.472575D+00  0.101687D+01
      3   0.170869D+02 -0.850965D+01 -0.111182D+02  0.106487D+01  0.108997D+01
      4   0.489689D+01 -0.886978D+01  0.155696D+02  0.475495D-01 -0.175394D+01
      5  -0.177774D+02  0.142580D+02  0.282252D+02  0.141096D+01  0.388716D+00
      6   0.823582D+01  0.104967D+00 -0.619960D+01 -0.148753D+00 -0.142263D+01
                21            22            23            24            25 
      1   0.621569D+01 -0.833523D-01 -0.267413D+01 -0.200236D+00  0.581125D+01
      2  -0.288591D+00 -0.903445D+00  0.222288D+01 -0.277996D+01 -0.347902D+01
      3  -0.592710D+01  0.986797D+00  0.451247D+00  0.298019D+01 -0.233223D+01
      4  -0.810245D+00  0.123842D+01 -0.152820D+01  0.211954D+01 -0.551665D+01
      5  -0.380247D+01  0.593629D-01  0.171036D+01  0.157640D+01  0.624948D+01
      6   0.339964D+01  0.515651D+00 -0.160940D+01  0.288290D+01 -0.155446D+01
                26            27            28            29            30 
      1   0.266146D+01 -0.148562D+02  0.539110D+01 -0.911640D+00 -0.437831D+01
      2  -0.117690D+01 -0.914749D+01 -0.655586D+01  0.126027D+01  0.493249D+01
      3  -0.148456D+01  0.240037D+02  0.116476D+01 -0.348628D+00 -0.554180D+00
      4   0.686307D+01 -0.295199D+01 -0.308002D+01  0.696787D+01  0.259350D+01
      5  -0.475776D+01  0.262341D+02 -0.106108D+02  0.253784D+01  0.125234D+02
      6   0.493886D+01 -0.149044D+02  0.271039D+01 -0.328570D+00 -0.136947D+01
                31            32            33            34            35 
      1  -0.210532D+00 -0.228558D+01 -0.259813D+01 -0.312184D+01 -0.331619D+01
      2   0.178275D+01 -0.543844D+00 -0.763281D+00  0.103477D+02 -0.220827D+01
      3  -0.157221D+01  0.282943D+01  0.336141D+01 -0.722583D+01  0.552446D+01
      4   0.103697D+02 -0.588198D+01 -0.586070D+01  0.402843D+01 -0.714646D+01
      5   0.357959D+01 -0.525468D+01 -0.828080D+01  0.198288D+02 -0.844707D+01
      6  -0.202099D+01  0.398621D+01  0.896618D+01 -0.507999D+01  0.567554D+01
                36            37            38            39            40 
      1  -0.104991D+02 -0.537715D+02  0.114845D+01  0.680271D+01  0.153955D+02
      2  -0.165930D+02  0.335872D+02  0.502483D+01 -0.453008D+01 -0.356425D+01
      3   0.270922D+02  0.201843D+02 -0.617328D+01 -0.227263D+01 -0.118312D+02
      4  -0.967944D+01  0.359510D+01  0.186147D+02 -0.103113D+00  0.203320D+02
      5  -0.336380D+02  0.755421D+01 -0.130088D+01  0.837999D+01 -0.124449D+01
      6   0.101976D+02  0.323955D+01 -0.107968D+01  0.593929D+01 -0.392962D+00
                41            42            43            44            45 
      1   0.176388D+02 -0.531785D+01  0.733298D+01 -0.355176D+01  0.171232D+02
      2  -0.752027D+01  0.666209D+01 -0.205574D+01  0.622408D+01 -0.119483D+02
      3  -0.101185D+02 -0.134424D+01 -0.527724D+01 -0.267232D+01 -0.517489D+01
      4   0.249356D+01  0.791554D+01  0.224905D+01  0.942647D+01 -0.163307D+02
      5   0.802084D+01 -0.179749D+02  0.292043D+01 -0.185504D+02 -0.184936D+02
      6   0.866750D+01 -0.116938D+02  0.591394D+00 -0.138145D+02 -0.659153D+01
                46            47            48            49            50 
      1  -0.222079D+02 -0.550905D+00 -0.110330D+01  0.291162D+01 -0.564740D+01
      2   0.729122D+01  0.650427D+00 -0.456092D+00  0.463286D+00  0.115582D+02
      3   0.149166D+02 -0.995221D-01  0.155939D+01 -0.337490D+01 -0.591075D+01
      4  -0.102863D+02  0.674062D+01 -0.320713D+00 -0.982102D+01  0.153312D+01
      5  -0.289028D+01 -0.301616D+00  0.351186D+01 -0.162483D+01  0.524194D+00
      6  -0.106314D+01 -0.468703D+00 -0.205864D+01  0.113865D+01  0.184328D+01
                51            52            53            54            55 
      1  -0.132059D-01  0.476477D+01  0.389433D+00 -0.985983D+01  0.352239D+01
      2   0.202718D+01 -0.202940D+01  0.446873D+00 -0.455877D+01 -0.269911D+01
      3  -0.201397D+01 -0.273537D+01 -0.836306D+00  0.144186D+02 -0.823283D+00
      4   0.925177D+00 -0.579207D+00  0.210914D+01 -0.127177D+01  0.488229D+00
      5  -0.190920D+01  0.369710D+01 -0.148711D+01  0.212830D+00  0.249309D+01
      6  -0.267665D+01  0.212565D+00  0.273804D+01 -0.160174D+01  0.234021D+01
                56            57            58            59            60 
      1   0.233674D+01  0.436057D+01  0.141896D+01 -0.699107D+01 -0.434597D+01
      2  -0.218754D+01 -0.133571D+01  0.928531D-01  0.722877D+01  0.437577D+01
      3  -0.149201D+00 -0.302485D+01 -0.151182D+01 -0.237704D+00 -0.297970D-01
      4  -0.141857D+01  0.179417D+01  0.311116D+01  0.857958D+01  0.545041D+01
      5   0.559443D+00  0.938191D-01  0.111620D+01  0.560544D+01  0.866586D+01
      6  -0.544111D+00 -0.168766D+01  0.859529D+00  0.580535D+01  0.106784D+02
                61            62            63            64            65 
      1   0.768914D+01 -0.402800D+01 -0.127890D+02  0.479193D+00  0.510624D+01
      2  -0.406511D+01  0.395111D+01  0.336218D-01  0.350497D+00 -0.436180D+01
      3  -0.362403D+01  0.768906D-01  0.127553D+02 -0.829691D+00 -0.744442D+00
      4   0.781774D+01  0.103661D+02  0.102349D+02  0.443519D+00 -0.810070D+00
      5   0.666085D+01  0.117337D+02  0.292619D+02 -0.224456D+01  0.107018D+00
      6   0.187931D+01  0.110571D+02  0.190519D+02 -0.269831D+01  0.209917D+01
                66            67            68            69            70 
      1  -0.507566D+01  0.458435D+01 -0.160870D+02  0.880721D+01 -0.615632D+01
      2   0.260200D+01 -0.188017D+01  0.224599D+02 -0.992404D+01  0.277454D+01
      3   0.247367D+01 -0.270417D+01 -0.637288D+01  0.111684D+01  0.338178D+01
      4  -0.110788D+01  0.665211D+01  0.236569D+02 -0.113489D+02 -0.653007D+01
      5  -0.958078D+00 -0.173972D+01 -0.117514D+02  0.121179D+02  0.350321D+01
      6  -0.296667D+01 -0.965084D+00 -0.138268D+02  0.127890D+02  0.843031D+00
                71            72            73            74            75 
      1   0.870434D+01 -0.119695D+02  0.865405D+02  0.769523D+00 -0.531960D+01
      2  -0.905209D+01  0.562724D+01 -0.466721D+02  0.157315D+01  0.346413D+01
      3   0.347756D+00  0.634225D+01 -0.398684D+02 -0.234268D+01  0.185547D+01
      4  -0.146507D+02  0.111934D+02  0.174929D+02  0.103287D+02 -0.110118D+01
      5   0.124522D+02 -0.127665D+02 -0.789254D+01 -0.149605D+00  0.103444D+02
      6   0.134586D+02 -0.131907D+02 -0.189288D+01 -0.361403D+00  0.245398D+01
                76            77            78            79            80 
      1  -0.131803D+02  0.559490D+01  0.120888D+01 -0.592477D+01  0.449179D+00
      2   0.909754D+01 -0.264255D+01 -0.130054D+01  0.393679D+01 -0.109983D+01
      3   0.408276D+01 -0.295235D+01  0.916660D-01  0.198798D+01  0.650654D+00
      4   0.744526D+01 -0.141500D+01 -0.143660D+01 -0.152927D+01 -0.250297D+01
      5   0.885239D+00 -0.165000D+01 -0.853246D+00  0.122625D+02  0.181165D+01
      6  -0.222090D+00 -0.643890D+00  0.166605D+01  0.183446D+01  0.248536D+01
                81            82            83            84            85 
      1   0.607393D+01  0.620088D+01 -0.142107D+02 -0.237044D+01  0.109464D+01
      2  -0.437075D+01 -0.527176D+01  0.105380D+02  0.130349D+01 -0.120404D+02
      3  -0.170317D+01 -0.929121D+00  0.367274D+01  0.106694D+01  0.109458D+02
      4   0.280216D+01 -0.744077D+01 -0.134942D+02  0.387195D+00  0.497571D+01
      5  -0.153387D+01 -0.119790D+01  0.678590D+00 -0.240072D+01  0.609279D+00
      6   0.258168D+00  0.273491D+01  0.150144D+01  0.502762D+01 -0.457666D+01
                86            87            88            89            90 
      1   0.288909D+01  0.136564D+01 -0.874211D+00  0.396023D+01 -0.146338D+02
      2  -0.737028D+01 -0.132159D+01 -0.837810D+00 -0.490437D+01  0.338979D+01
      3   0.448119D+01 -0.440470D-01  0.171202D+01  0.944139D+00  0.112440D+02
      4  -0.133091D+02 -0.148903D+01 -0.782045D+00  0.225113D+01 -0.292975D+01
      5  -0.154136D+01  0.723398D+00  0.314540D+01 -0.320634D+01  0.159866D+01
      6  -0.202007D+01  0.546963D+01  0.426855D+01  0.153899D+02 -0.111338D+01
                91            92            93            94            95 
      1   0.182150D+01  0.193463D+02  0.340004D+00 -0.257884D+02  0.988808D+01
      2  -0.387953D+01 -0.120749D+02 -0.262526D+00  0.239232D+02 -0.149869D+02
      3   0.205802D+01 -0.727137D+01 -0.774786D-01  0.186517D+01  0.509887D+01
      4   0.122367D+02 -0.503423D+01 -0.473497D+01  0.616867D+01  0.827479D+01
      5   0.300028D+01 -0.503558D+01  0.960126D+00 -0.300899D+00  0.367422D+01
      6  -0.493840D+01  0.300465D+01 -0.381141D+01  0.281427D+01 -0.622586D+01
                96            97            98            99           100 
      1   0.175494D+01 -0.960659D+00 -0.293475D+01 -0.424524D+01 -0.122649D+02
      2  -0.427602D+01  0.435117D+01 -0.290539D+01 -0.393205D+01  0.815312D+01
      3   0.252108D+01 -0.339051D+01  0.584013D+01  0.817729D+01  0.411177D+01
      4   0.368079D+01 -0.485662D+01  0.725652D+01 -0.165820D+02  0.181761D+01
      5  -0.906379D+01  0.134602D+02 -0.167336D+02 -0.471166D+01  0.758443D+01
      6   0.482947D+01 -0.756267D+01  0.147700D+02  0.277532D+01  0.708494D+00
               101           102           103           104           105 
      1   0.166953D+01  0.563234D+01 -0.215249D+01 -0.202134D+02 -0.359006D+01
      2  -0.128814D+01 -0.354123D+01  0.154265D+01  0.171733D+02  0.498803D+01
      3  -0.381393D+00 -0.209111D+01  0.609840D+00  0.304013D+01 -0.139798D+01
      4   0.229772D+02  0.803828D+00 -0.194192D+02  0.515738D+01  0.328204D+01
      5   0.754072D+00  0.138399D+02 -0.666058D+01  0.273928D+01  0.723504D-01
      6  -0.752336D+00 -0.102358D+01  0.308465D+01  0.161123D+01 -0.334122D+01
               106           107           108           109           110 
      1   0.907084D+01 -0.439991D+01  0.158203D+02  0.259828D+01 -0.208553D+02
      2  -0.354685D+01  0.363595D+01 -0.189785D+02 -0.532812D+01  0.117173D+02
      3  -0.552399D+01  0.763962D+00  0.315824D+01  0.272984D+01  0.913804D+01
      4  -0.715732D+01 -0.918512D+00 -0.800311D+00 -0.177742D+02  0.425911D+00
      5   0.365566D+02 -0.258643D+00 -0.431563D+01 -0.118910D+00  0.410539D+01
      6  -0.950200D+00  0.366089D+01 -0.204267D+01  0.259893D+01  0.261057D+01
               111           112           113           114           115 
      1  -0.306604D+01  0.256885D+02  0.625060D+01  0.975362D-01  0.527479D+01
      2   0.492022D+00 -0.243977D+02 -0.116916D+02 -0.974894D-01 -0.562748D+01
      3   0.257402D+01 -0.129081D+01  0.544097D+01 -0.467971D-04  0.352692D+00
      4   0.392506D+01  0.329430D+01 -0.146816D+02 -0.530040D+01  0.217366D+01
      5   0.431563D+01 -0.253549D+01 -0.482587D+01  0.899149D+01  0.175837D+02
      6   0.483676D+01 -0.418892D+01 -0.283761D+01  0.490056D+01  0.877525D+01
               116           117           118           119           120 
      1   0.521672D+01 -0.862024D-01  0.807781D+01  0.109629D+02 -0.176338D+00
      2  -0.573305D+01 -0.617767D+01 -0.600333D+01 -0.777842D+01  0.959614D+00
      3   0.516332D+00  0.626387D+01 -0.207447D+01 -0.318446D+01 -0.783276D+00
      4  -0.466804D+01  0.159206D+02  0.111979D+02 -0.169722D+02 -0.261649D+01
      5   0.165508D+02  0.400909D+01  0.113778D+00 -0.282814D+01 -0.337214D+01
      6   0.134815D+02 -0.184626D+01 -0.199163D+01  0.149575D+01 -0.311389D+01
               121           122           123           124           125 
      1  -0.217511D+01  0.718484D+01  0.368776D+01 -0.154472D+01 -0.338314D+00
      2   0.989251D+01 -0.117931D+02 -0.409792D+01  0.337741D+01 -0.398346D+01
      3  -0.771740D+01  0.460829D+01  0.410165D+00 -0.183269D+01  0.432177D+01
      4   0.101830D+02  0.136180D+02  0.165700D+01  0.150931D+01  0.367822D+01
      5   0.960935D+00  0.152908D+01  0.539708D+00 -0.300710D+00  0.489435D+01
      6   0.361167D+01 -0.624500D+01  0.471032D+01 -0.435533D+01  0.147138D+02
               126           127           128           129           130 
      1  -0.158771D+02 -0.262599D+01 -0.615118D+01 -0.658114D-01 -0.784451D+01
      2   0.248966D+01  0.561789D+01  0.929286D+01  0.235791D+00  0.115186D+02
      3   0.133875D+02 -0.299190D+01 -0.314168D+01 -0.169980D+00 -0.367414D+01
      4   0.511960D+01  0.860415D+01  0.764114D+01  0.350140D+00  0.726549D+01
      5   0.428781D+01  0.391016D+00  0.524812D+00  0.735446D+00  0.514781D+00
      6   0.488654D+01 -0.301568D+00 -0.106527D+00  0.133542D+01  0.619607D+00
               131           132           133           134           135 
      1  -0.241518D+02 -0.128718D+01 -0.878174D+00 -0.168539D+01 -0.975549D+00
      2   0.333876D+02  0.122190D+01  0.850151D+00  0.221260D+01  0.130477D+01
      3  -0.923576D+01  0.652825D-01  0.280232D-01 -0.527203D+00 -0.329218D+00
      4   0.642200D+01  0.287098D+00  0.341451D+00 -0.278948D+00  0.124664D+01
      5   0.931264D+00  0.742414D+00  0.443412D+00  0.817789D+00 -0.300078D-01
      6   0.138546D+01  0.483296D+01  0.586025D+00  0.164670D+01  0.526884D+00
               136           137           138           139           140 
      1   0.833168D+01 -0.688764D+01 -0.948453D+00 -0.817260D+00 -0.107853D+02
      2   0.269592D+01 -0.478556D+01 -0.129273D+00 -0.117820D+02  0.335902D+02
      3  -0.110276D+02  0.116732D+02  0.107773D+01  0.125993D+02 -0.228049D+02
      4  -0.234956D+02  0.267292D+02  0.410102D+01  0.284486D+02 -0.499278D+02
      5  -0.346235D+01  0.367001D+01  0.459838D+01  0.353942D+01 -0.564917D+01
      6   0.269538D+01 -0.304692D+01 -0.286664D+01 -0.372989D+01  0.787225D+01
               141           142           143           144           145 
      1  -0.163660D+01 -0.729685D+00 -0.745463D+00 -0.121541D+01  0.102325D+03
      2   0.320181D+01 -0.128467D+01  0.357799D+01  0.199267D+01 -0.590049D+02
      3  -0.156521D+01  0.201435D+01 -0.283253D+01 -0.777257D+00 -0.433200D+02
      4  -0.655885D+01  0.520698D+01 -0.768656D+01 -0.301070D+01 -0.604763D+01
      5  -0.528272D+01  0.187007D+01 -0.233527D+01 -0.138971D+01 -0.102904D+02
      6   0.732553D+01 -0.194762D+01  0.380695D+01  0.189017D+01 -0.116424D+01
               146           147           148           149           150 
      1  -0.293074D+01 -0.728411D+01 -0.262170D+01  0.982617D+01  0.896738D+00
      2   0.142768D+01  0.500709D+01  0.111695D+01 -0.506976D+01 -0.755269D+00
      3   0.150306D+01  0.227702D+01  0.150475D+01 -0.475641D+01 -0.141469D+00
      4   0.844611D+01  0.294346D+00  0.155480D+02 -0.154541D+01 -0.125956D+01
      5   0.132329D+00  0.107173D+02  0.165859D+01 -0.115698D+01 -0.545705D+00
      6  -0.486089D+00 -0.185262D+00 -0.931140D+00 -0.139383D+00  0.156940D+01
               151           152           153           154           155 
      1  -0.932742D+01  0.991009D+00  0.392137D+01  0.157054D+02  0.111133D+02
      2   0.565641D+01 -0.697642D+00 -0.259618D+01 -0.535785D+00  0.308131D+01
      3   0.367101D+01 -0.293367D+00 -0.132519D+01 -0.151696D+02 -0.141947D+02
      4   0.197771D+01 -0.987110D+00 -0.514841D+00  0.294787D+02  0.301219D+02
      5   0.417712D+01 -0.343681D+00 -0.211567D+01  0.193697D+01  0.144110D+01
      6  -0.131707D+00  0.805307D+00  0.249850D+00  0.376261D+00  0.218864D+00
               156           157           158           159           160 
      1   0.662200D+00  0.539754D+01 -0.170940D+01  0.946506D-01 -0.736493D+00
      2  -0.195508D+00  0.953761D+01  0.241505D+02  0.492449D+00  0.103693D+01
      3  -0.466693D+00 -0.149352D+02 -0.224411D+02 -0.587100D+00 -0.300436D+00
      4   0.100671D+01  0.327836D+02  0.487128D+02  0.279876D+01  0.130002D+01
      5   0.480630D+01  0.286271D+01  0.370509D+01  0.508154D+01  0.173791D+01
      6   0.279226D+01  0.157041D+01  0.228501D+01  0.583093D+01  0.157469D+01
               161           162           163           164           165 
      1  -0.866073D+00 -0.659789D+00 -0.545872D+01  0.822401D+01  0.210441D+01
      2   0.171755D+01  0.133605D+01  0.644443D+01 -0.102629D+02 -0.154425D+01
      3  -0.851478D+00 -0.676256D+00 -0.985706D+00  0.203891D+01 -0.560162D+00
      4   0.265072D+01  0.270177D+01 -0.507297D+01  0.662670D+01  0.109781D+01
      5   0.183973D+01  0.484810D+00 -0.373448D+00  0.823393D+00  0.108369D+01
      6   0.279354D+01  0.755636D+00  0.188067D+01 -0.313523D+01 -0.238117D+01
               166           167           168           169           170 
      1   0.823150D+01 -0.297124D+02 -0.501564D+01  0.139763D+01 -0.372142D+01
      2  -0.104006D+02  0.390209D+02  0.459799D+01 -0.169955D+01  0.425696D+01
      3   0.216906D+01 -0.930844D+01  0.417642D+00  0.301918D+00 -0.535534D+00
      4   0.536379D+01 -0.281219D+01 -0.223213D+00  0.121326D+01 -0.121189D+01
      5   0.336674D+00  0.494362D+00 -0.206950D+00  0.910316D+00 -0.663383D+00
      6  -0.241450D+01  0.819716D+01  0.669669D+01 -0.802158D+00  0.322151D+01
               171 
      1  -0.196372D+01
      2   0.223275D+01
      3  -0.269034D+00
      4  -0.182129D+01
      5  -0.960890D+00
      6   0.193638D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:52:41 2021, MaxMem=  5368709120 cpu:            6146.9 elap:             769.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.14367 -10.24546 -10.19858 -10.19389 -10.19332
 Alpha  occ. eigenvalues --  -10.19312 -10.19264 -10.19012 -10.18285  -1.01620
 Alpha  occ. eigenvalues --   -0.85878  -0.77717  -0.74667  -0.72571  -0.64162
 Alpha  occ. eigenvalues --   -0.60624  -0.58760  -0.53509  -0.49027  -0.47193
 Alpha  occ. eigenvalues --   -0.46437  -0.44742  -0.43452  -0.42766  -0.38845
 Alpha  occ. eigenvalues --   -0.38775  -0.37189  -0.36945  -0.35106  -0.32802
 Alpha  occ. eigenvalues --   -0.29223  -0.26376  -0.25532
 Alpha virt. eigenvalues --   -0.02389  -0.01819   0.01514   0.03428   0.03898
 Alpha virt. eigenvalues --    0.04706   0.06090   0.06560   0.07038   0.09376
 Alpha virt. eigenvalues --    0.10315   0.10785   0.11394   0.12357   0.12918
 Alpha virt. eigenvalues --    0.13491   0.14795   0.15281   0.15580   0.15991
 Alpha virt. eigenvalues --    0.17304   0.17631   0.18290   0.18721   0.20694
 Alpha virt. eigenvalues --    0.21705   0.22036   0.22912   0.23704   0.24340
 Alpha virt. eigenvalues --    0.25319   0.26098   0.26351   0.26961   0.27069
 Alpha virt. eigenvalues --    0.28178   0.29005   0.30152   0.30729   0.31791
 Alpha virt. eigenvalues --    0.32234   0.32671   0.33057   0.33793   0.34406
 Alpha virt. eigenvalues --    0.34839   0.35369   0.35734   0.36441   0.37065
 Alpha virt. eigenvalues --    0.37209   0.38233   0.38357   0.39355   0.39692
 Alpha virt. eigenvalues --    0.39784   0.40298   0.40767   0.41218   0.41405
 Alpha virt. eigenvalues --    0.42288   0.42570   0.42981   0.43520   0.44438
 Alpha virt. eigenvalues --    0.45425   0.45921   0.46714   0.47456   0.47633
 Alpha virt. eigenvalues --    0.48558   0.49460   0.49955   0.50848   0.51780
 Alpha virt. eigenvalues --    0.52258   0.53952   0.54141   0.54509   0.55587
 Alpha virt. eigenvalues --    0.56548   0.57148   0.59038   0.59588   0.59802
 Alpha virt. eigenvalues --    0.60471   0.61290   0.62406   0.62880   0.64318
 Alpha virt. eigenvalues --    0.65364   0.65738   0.66747   0.67191   0.68727
 Alpha virt. eigenvalues --    0.69767   0.71162   0.72468   0.73053   0.74185
 Alpha virt. eigenvalues --    0.74878   0.75679   0.77262   0.78214   0.78920
 Alpha virt. eigenvalues --    0.81287   0.82208   0.83740   0.84534   0.90282
 Alpha virt. eigenvalues --    0.91281   0.93317   0.94128   0.95612   0.96253
 Alpha virt. eigenvalues --    0.96441   0.98369   0.98638   0.99975   1.01434
 Alpha virt. eigenvalues --    1.02541   1.03619   1.05541   1.06634   1.07600
 Alpha virt. eigenvalues --    1.08960   1.10343   1.11901   1.12629   1.13829
 Alpha virt. eigenvalues --    1.15523   1.17093   1.19752   1.21133   1.21683
 Alpha virt. eigenvalues --    1.23111   1.24078   1.25527   1.26950   1.29474
 Alpha virt. eigenvalues --    1.30388   1.34411   1.36501   1.37602   1.38314
 Alpha virt. eigenvalues --    1.41059   1.43753   1.46668   1.48335   1.50540
 Alpha virt. eigenvalues --    1.53763   1.57079   1.57604   1.59178   1.59938
 Alpha virt. eigenvalues --    1.61466   1.63003   1.64010   1.66227   1.69342
 Alpha virt. eigenvalues --    1.70107   1.73193   1.77546   1.78499   1.81635
 Alpha virt. eigenvalues --    1.82101   1.82901   1.85095   1.87733   1.88649
 Alpha virt. eigenvalues --    1.90158   1.90760   1.92484   1.95491   1.97531
 Alpha virt. eigenvalues --    1.98727   2.00792   2.01691   2.04052   2.04598
 Alpha virt. eigenvalues --    2.05590   2.06248   2.09692   2.10697   2.10750
 Alpha virt. eigenvalues --    2.16933   2.17994   2.19475   2.22627   2.24740
 Alpha virt. eigenvalues --    2.29123   2.31206   2.32770   2.34847   2.36568
 Alpha virt. eigenvalues --    2.39398   2.40775   2.41075   2.42272   2.44754
 Alpha virt. eigenvalues --    2.47114   2.49742   2.51729   2.55236   2.58140
 Alpha virt. eigenvalues --    2.60898   2.61474   2.65348   2.70099   2.75819
 Alpha virt. eigenvalues --    2.84141   2.84250   2.85852   2.88950   2.91709
 Alpha virt. eigenvalues --    2.97179   3.01049   3.03038   3.07772   3.08952
 Alpha virt. eigenvalues --    3.11218   3.13452   3.15538   3.19457   3.21580
 Alpha virt. eigenvalues --    3.23686   3.34337   3.55738   3.70351   3.94591
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.246133   0.011294   0.195868   0.014289  -0.000937   0.029926
     2  C    0.011294   6.492041   0.072613  -0.183343   0.467999  -0.241103
     3  H    0.195868   0.072613   0.634117   0.004212  -0.015673  -0.061029
     4  H    0.014289  -0.183343   0.004212   1.234683  -0.041605   0.051101
     5  C   -0.000937   0.467999  -0.015673  -0.041605   4.176085   0.104581
     6  C    0.029926  -0.241103  -0.061029   0.051101   0.104581   9.792826
     7  H   -0.020693   0.221255  -0.002720   0.004186   0.213534  -0.036072
     8  H    0.010862   0.119718  -0.002076  -0.050099   0.236581  -0.019300
     9  H    0.001645   0.065816   0.000725   0.001516   0.155814   0.018895
    10  C   -0.009888  -0.623460   0.029167   0.143017  -0.146943  -0.442454
    11  C   -0.002746   0.007496  -0.000225  -0.002974   0.041436   0.493799
    12  C    0.000166   0.075818  -0.001670  -0.005756   0.005228  -0.147184
    13  C    0.012382   0.094037  -0.001184  -0.009380  -0.008189   0.419949
    14  C   -0.038941  -0.584460  -0.010548   0.074259   0.025406  -0.687109
    15  H   -0.001613  -0.393912   0.010763   0.057781  -0.225154  -1.620933
    16  H    0.000069   0.010074  -0.000291  -0.000579   0.005625  -0.051158
    17  H   -0.000067  -0.003719   0.000103   0.000253  -0.000479   0.203100
    18  H   -0.000004   0.006896  -0.000359  -0.002127   0.000666   0.100879
    19  H    0.024225  -0.266167  -0.014861   0.017975   0.001918  -0.947941
               7          8          9         10         11         12
     1  O   -0.020693   0.010862   0.001645  -0.009888  -0.002746   0.000166
     2  C    0.221255   0.119718   0.065816  -0.623460   0.007496   0.075818
     3  H   -0.002720  -0.002076   0.000725   0.029167  -0.000225  -0.001670
     4  H    0.004186  -0.050099   0.001516   0.143017  -0.002974  -0.005756
     5  C    0.213534   0.236581   0.155814  -0.146943   0.041436   0.005228
     6  C   -0.036072  -0.019300   0.018895  -0.442454   0.493799  -0.147184
     7  H    0.784314   0.042291  -0.143227  -0.034695   0.002514   0.000053
     8  H    0.042291   0.820474  -0.177243  -0.060959   0.009271   0.000644
     9  H   -0.143227  -0.177243   1.399582   0.073355  -0.003040  -0.000331
    10  C   -0.034695  -0.060959   0.073355   8.291917  -0.542167   0.626515
    11  C    0.002514   0.009271  -0.003040  -0.542167   7.290257  -0.119677
    12  C    0.000053   0.000644  -0.000331   0.626515  -0.119677   6.587217
    13  C   -0.001352  -0.000581   0.000076  -0.226647   0.649453  -0.246785
    14  C   -0.010407  -0.005682   0.002698  -0.000881  -0.163865   0.548437
    15  H   -0.038173  -0.067602   0.055721   0.020292  -1.111061  -0.107412
    16  H   -0.000196   0.000219  -0.000182  -0.527544   0.174902  -0.600224
    17  H    0.000048  -0.000025   0.000006  -0.074810  -0.496196   0.177704
    18  H    0.000016   0.000053  -0.000009   0.226449  -0.104119  -0.597627
    19  H   -0.001467  -0.000691  -0.001073  -0.019860   0.219447  -0.061755
              13         14         15         16         17         18
     1  O    0.012382  -0.038941  -0.001613   0.000069  -0.000067  -0.000004
     2  C    0.094037  -0.584460  -0.393912   0.010074  -0.003719   0.006896
     3  H   -0.001184  -0.010548   0.010763  -0.000291   0.000103  -0.000359
     4  H   -0.009380   0.074259   0.057781  -0.000579   0.000253  -0.002127
     5  C   -0.008189   0.025406  -0.225154   0.005625  -0.000479   0.000666
     6  C    0.419949  -0.687109  -1.620933  -0.051158   0.203100   0.100879
     7  H   -0.001352  -0.010407  -0.038173  -0.000196   0.000048   0.000016
     8  H   -0.000581  -0.005682  -0.067602   0.000219  -0.000025   0.000053
     9  H    0.000076   0.002698   0.055721  -0.000182   0.000006  -0.000009
    10  C   -0.226647  -0.000881   0.020292  -0.527544  -0.074810   0.226449
    11  C    0.649453  -0.163865  -1.111061   0.174902  -0.496196  -0.104119
    12  C   -0.246785   0.548437  -0.107412  -0.600224   0.177704  -0.597627
    13  C    7.212733  -0.832606   0.229304  -0.064319  -0.492966   0.088215
    14  C   -0.832606   7.876448   0.093460   0.148003   0.004830  -0.490895
    15  H    0.229304   0.093460   4.150132  -0.823493   0.082730  -0.025601
    16  H   -0.064319   0.148003  -0.823493   2.947931  -0.679896   0.075720
    17  H   -0.492966   0.004830   0.082730  -0.679896   2.578426  -0.614482
    18  H    0.088215  -0.490895  -0.025601   0.075720  -0.614482   2.714710
    19  H   -0.494212   0.285966   0.052489  -0.021771   0.063669  -0.563346
              19
     1  O    0.024225
     2  C   -0.266167
     3  H   -0.014861
     4  H    0.017975
     5  C    0.001918
     6  C   -0.947941
     7  H   -0.001467
     8  H   -0.000691
     9  H   -0.001073
    10  C   -0.019860
    11  C    0.219447
    12  C   -0.061755
    13  C   -0.494212
    14  C    0.285966
    15  H    0.052489
    16  H   -0.021771
    17  H    0.063669
    18  H   -0.563346
    19  H    2.287586
 Mulliken charges:
               1
     1  O   -0.471969
     2  C    0.651107
     3  H    0.163069
     4  H   -0.307409
     5  C    1.004107
     6  C   -0.960773
     7  H    0.020790
     8  H    0.144147
     9  H   -0.450744
    10  C   -0.700406
    11  C   -0.342506
    12  C   -0.133362
    13  C   -0.327930
    14  C   -0.234113
    15  H    0.662279
    16  H    0.407111
    17  H    0.251770
    18  H    0.184964
    19  H    0.439867
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.308900
     2  C    0.343698
     5  C    0.718300
     6  C   -0.960773
    10  C   -0.038126
    11  C    0.064605
    12  C    0.118408
    13  C   -0.142966
    14  C    0.205755
 Electronic spatial extent (au):  <R**2>=           1281.6279
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.8199    Y=              1.2345    Z=              0.3588  Tot=              1.5248
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -55.0533   YY=            -53.8379   ZZ=            -54.6354
   XY=              3.8773   XZ=             -0.4015   YZ=              0.1669
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.5444   YY=              0.6710   ZZ=             -0.1265
   XY=              3.8773   XZ=             -0.4015   YZ=              0.1669
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -13.3751  YYY=             -0.1938  ZZZ=              5.8811  XYY=             -7.3574
  XXY=              7.9886  XXZ=              0.9959  XZZ=             14.2629  YZZ=             -4.8104
  YYZ=              0.6305  XYZ=             -1.6228
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1186.0588 YYYY=           -430.8925 ZZZZ=            -94.1406 XXXY=             17.1981
 XXXZ=            -10.3943 YYYX=              0.4620 YYYZ=              1.0200 ZZZX=             11.3308
 ZZZY=             -8.0010 XXYY=           -281.9102 XXZZ=           -219.9462 YYZZ=            -91.2475
 XXYZ=              2.4987 YYXZ=             -0.1448 ZZXY=             -8.9481
 N-N= 4.251976644099D+02 E-N=-1.745411848457D+03  KE= 3.816096430389D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:52:41 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.94882136D-01 4.52113215D-01 1.66017669D-01
 Polarizability= 1.20304629D+02 1.44257949D+00 1.00119864D+02
                -3.12062470D+00 2.77414581D+00 6.39036978D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.4430    1.4432        0.5820    0.5821
 2     -1.4430   -1.4432       -1.3828   -1.3828      -11.4948  -11.4940
 3     -0.5820   -0.5821       30.4979   30.4994        1.3852    1.3828
 4      1.3828    1.3828       -0.0000    0.0000       -0.5810   -0.5821
 5    -19.0031  -19.0053        0.5810    0.5821        1.4374    1.4432
 6     -1.3852   -1.3828       -1.4374   -1.4432       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -4.3296   -4.3296        1.7463    1.7463
 2      4.1483    4.1483        0.0000    0.0000        1.7463    1.7463
 3      4.1483    4.1483       -4.3296   -4.3296       -0.0000    0.0000
 4     -4.3296   -4.3296       -4.1483   -4.1483      -34.4821  -34.4821
 5     -1.7463   -1.7463       91.4982   91.4982        4.1483    4.1483
 6    -57.0160  -57.0160        1.7463    1.7463        4.3296    4.3296
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0358    0.0000       -5.6671   -5.7728       -2.3416   -2.3285
 2      5.7732    5.7728        5.4653    5.5310       45.9641   45.9762
 3      2.4306    2.3285     -121.8864 -121.9975       -5.5303   -5.5310
 4     -5.5423   -5.5310        0.0103    0.0000        2.3025    2.3285
 5     76.1179   76.0214       -2.3970   -2.3285       -5.8428   -5.7728
 6      5.3811    5.5310        5.9843    5.7728       -0.0581    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1139    0.0000        5.6179    5.6577       -9.2465   -9.2219
 2     -5.7512   -5.6577       45.2250   45.2201       17.8128   17.8257
 3      9.3397    9.2219       11.3114   11.2688      -45.2063  -45.2201
 4    -45.2075  -45.2201        0.0911    0.0000        9.3437    9.2219
 5    -28.9157  -29.0945       -9.5715   -9.2219        5.5789    5.6577
 6     45.3670   45.2201       -5.6970   -5.6577       -0.0593    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -10.3178  -10.4593      -10.3038  -10.3754       10.0036   10.0325
 2    -83.7034  -83.7363       -6.3780   -6.4801       10.2319   10.0325
 3    -83.6808  -83.7363      -10.2596  -10.3754       16.0325   15.8628
 4     -3.9390   -3.8953       73.1987   73.2770       22.4200   22.3514
 5      5.8328    5.8303       23.2211   23.3506      -73.1543  -73.2770
 6    -45.5104  -45.7020       -6.1769   -5.8303        4.0525    3.8953
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.0020   -0.0006   -0.0002    0.0003    1.9050    4.5380
 Low frequencies ---   26.6731  145.4104  220.0769
 Diagonal vibrational polarizability:
       51.5011210       9.0039718      35.2628008
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     26.6539               145.4100               220.0768
 Red. masses --      3.6345                 3.5574                 3.4762
 Frc consts  --      0.0015                 0.0443                 0.0992
 IR Inten    --      1.0683                 0.5434                 1.1219
 RamAct Fr= 1--      2.4793                 4.5149                 0.1075
  Dep-P Fr= 1--      0.7487                 0.7416                 0.4700
  Dep-U Fr= 1--      0.8563                 0.8516                 0.6395
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0006
 Beta2  Fr= 1--      0.3538                 0.6408                 0.0115
 AlphaG Fr= 1--     -0.0001                -0.0000                 0.0017
 Gamma2 Fr= 1--      0.9158                 0.3753                -0.0961
 Delta2 Fr= 1--      0.6288                 0.3237                -0.0219
 Raman1 Fr= 1--       9.917                 18.060                  0.430
 ROA1   Fr= 1--     108.034                 46.385                 -9.926
 CID1   Fr= 1--      10.893                  2.568                -23.079
 Raman2 Fr= 1--       4.246                  7.690                  0.138
 ROA2   Fr= 1--      16.948                  6.417                 -2.130
 CID2   Fr= 1--       3.991                  0.834                -15.492
 Raman3 Fr= 1--       8.492                 15.380                  0.275
 ROA3   Fr= 1--     108.034                 46.385                 -9.926
 CID3   Fr= 1--      12.722                  3.016                -36.089
 RC180  Fr= 1--       0.713                  0.703                  0.279
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.10   0.23     0.16  -0.02  -0.10    -0.17  -0.04  -0.01
     2   6    -0.00  -0.05   0.01    -0.02  -0.01   0.04    -0.02   0.04   0.00
     3   1    -0.08   0.24   0.18     0.43   0.00  -0.02    -0.14   0.00  -0.00
     4   1    -0.00  -0.25   0.08    -0.20   0.02  -0.01    -0.12  -0.00  -0.00
     5   6     0.01  -0.01  -0.24    -0.01   0.01  -0.10     0.23  -0.10  -0.07
     6   6     0.00  -0.02  -0.01    -0.01  -0.03   0.22    -0.00   0.15   0.05
     7   1     0.06   0.16  -0.29     0.19  -0.00  -0.06     0.48  -0.12  -0.02
     8   1    -0.03  -0.13  -0.35    -0.18   0.01  -0.04     0.23  -0.03   0.01
     9   1     0.00  -0.02  -0.25    -0.02   0.04  -0.33     0.18  -0.27  -0.28
    10   6     0.03  -0.03   0.14    -0.01  -0.02   0.18    -0.09   0.11   0.05
    11   6     0.03  -0.02   0.15    -0.03   0.02  -0.04    -0.12  -0.04  -0.00
    12   6     0.01   0.00   0.00    -0.06   0.05  -0.21    -0.02  -0.10  -0.04
    13   6    -0.02   0.01  -0.15    -0.05   0.02  -0.06     0.10  -0.05  -0.00
    14   6    -0.02   0.00  -0.16    -0.03  -0.02   0.17     0.10   0.09   0.05
    15   1     0.05  -0.05   0.25     0.01  -0.04   0.26    -0.16   0.16   0.07
    16   1     0.05  -0.03   0.27    -0.02   0.03  -0.12    -0.22  -0.09  -0.02
    17   1     0.01   0.01   0.00    -0.08   0.08  -0.45    -0.02  -0.19  -0.09
    18   1    -0.04   0.03  -0.27    -0.07   0.04  -0.15     0.19  -0.11  -0.02
    19   1    -0.04   0.01  -0.27    -0.03  -0.03   0.23     0.20   0.14   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    277.2021               290.0679               343.3586
 Red. masses --      1.1310                 1.0536                 3.7616
 Frc consts  --      0.0512                 0.0522                 0.2613
 IR Inten    --     61.2226                45.2618                19.5794
 RamAct Fr= 1--      0.3958                 0.2015                 2.9565
  Dep-P Fr= 1--      0.7492                 0.7185                 0.1258
  Dep-U Fr= 1--      0.8566                 0.8362                 0.2235
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0486
 Beta2  Fr= 1--      0.0565                 0.0281                 0.1101
 AlphaG Fr= 1--      0.0004                -0.0021                -0.0232
 Gamma2 Fr= 1--      0.3092                 0.2146                -0.0619
 Delta2 Fr= 1--      0.1428                 0.1335                -0.0273
 Raman1 Fr= 1--       1.583                  0.806                 11.826
 ROA1   Fr= 1--      34.252                 24.874                 -6.819
 CID1   Fr= 1--      21.637                 30.858                 -0.577
 Raman2 Fr= 1--       0.678                  0.337                  1.322
 ROA2   Fr= 1--       6.278                  4.083                 -1.267
 CID2   Fr= 1--       9.259                 12.114                 -0.959
 Raman3 Fr= 1--       1.356                  0.674                  2.643
 ROA3   Fr= 1--      34.252                 24.874                 -6.819
 CID3   Fr= 1--      25.259                 36.904                 -2.580
 RC180  Fr= 1--       0.713                  0.672                 -0.553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.00   0.02    -0.01  -0.03  -0.03     0.26   0.08   0.01
     2   6     0.00  -0.01   0.01    -0.00  -0.00   0.00     0.05   0.02   0.04
     3   1     0.65   0.42   0.15     0.51   0.27   0.09    -0.25  -0.32  -0.08
     4   1     0.02  -0.03   0.02    -0.01  -0.00   0.01     0.01   0.04   0.03
     5   6     0.02  -0.03   0.03     0.01  -0.01   0.00     0.22  -0.06   0.03
     6   6    -0.01   0.00  -0.03    -0.01   0.02   0.01    -0.03  -0.02   0.02
     7   1     0.25  -0.25   0.15    -0.33   0.26  -0.16     0.24   0.03  -0.00
     8   1    -0.19   0.11   0.27     0.34  -0.16  -0.29     0.47  -0.03  -0.04
     9   1     0.00   0.04  -0.28     0.03  -0.14   0.45     0.18  -0.33   0.13
    10   6    -0.02   0.00  -0.05    -0.02   0.01   0.01    -0.10  -0.03  -0.07
    11   6    -0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.11  -0.01  -0.03
    12   6    -0.01  -0.00   0.04    -0.01  -0.01   0.00    -0.14  -0.00   0.09
    13   6    -0.02   0.01  -0.01     0.00  -0.00  -0.01    -0.13   0.02  -0.01
    14   6    -0.02   0.01  -0.04     0.00   0.01   0.00    -0.11   0.02  -0.08
    15   1    -0.02   0.01  -0.06    -0.02   0.02  -0.00    -0.11  -0.01  -0.12
    16   1    -0.01   0.00   0.01    -0.03  -0.01   0.02    -0.08   0.01  -0.06
    17   1    -0.01  -0.01   0.09    -0.01  -0.02   0.00    -0.13  -0.00   0.20
    18   1    -0.02   0.00   0.00     0.01  -0.01  -0.02    -0.11   0.01  -0.04
    19   1    -0.02   0.00  -0.04     0.02   0.02   0.01    -0.18  -0.00  -0.16
                      7                      8                      9
                      A                      A                      A
 Frequencies --    396.8326               413.9251               473.9878
 Red. masses --      3.0517                 2.9294                 3.6112
 Frc consts  --      0.2831                 0.2957                 0.4780
 IR Inten    --      1.1056                 0.0975                10.5469
 RamAct Fr= 1--      0.5893                 0.0474                 1.2418
  Dep-P Fr= 1--      0.6990                 0.3571                 0.6244
  Dep-U Fr= 1--      0.8228                 0.5262                 0.7688
 Alpha2 Fr= 1--      0.0005                 0.0004                 0.0028
 Beta2  Fr= 1--      0.0808                 0.0042                 0.1591
 AlphaG Fr= 1--      0.0037                 0.0048                 0.0031
 Gamma2 Fr= 1--     -0.6492                 0.3303                 0.3512
 Delta2 Fr= 1--     -0.0597                 0.0406                 0.1781
 Raman1 Fr= 1--       2.357                  0.190                  4.967
 ROA1   Fr= 1--     -64.235                 33.006                 39.416
 CID1   Fr= 1--     -27.249                173.953                  7.935
 Raman2 Fr= 1--       0.970                  0.050                  1.909
 ROA2   Fr= 1--     -15.103                  7.602                  7.005
 CID2   Fr= 1--     -15.573                152.266                  3.669
 Raman3 Fr= 1--       1.940                  0.100                  3.819
 ROA3   Fr= 1--     -64.235                 33.006                 39.416
 CID3   Fr= 1--     -33.116                330.561                 10.321
 RC180  Fr= 1--       0.646                  0.052                  0.538
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08   0.18  -0.01    -0.01   0.02  -0.00     0.17   0.03   0.06
     2   6    -0.02   0.08  -0.15    -0.01   0.01  -0.01     0.03  -0.15  -0.14
     3   1    -0.07   0.38  -0.04     0.06   0.08   0.01    -0.12   0.01  -0.02
     4   1     0.07   0.07  -0.13    -0.01   0.00  -0.01     0.05  -0.27  -0.09
     5   6     0.12  -0.03   0.06     0.00  -0.01   0.01    -0.13  -0.18   0.02
     6   6    -0.02  -0.08  -0.12    -0.00  -0.00  -0.02     0.01   0.11  -0.14
     7   1     0.08  -0.20   0.12    -0.01  -0.02   0.01    -0.38  -0.42   0.07
     8   1     0.38   0.17   0.18     0.04   0.01   0.01    -0.12  -0.08   0.14
     9   1     0.08  -0.25   0.16     0.00  -0.04   0.04    -0.08  -0.02   0.20
    10   6     0.04  -0.10   0.05     0.03  -0.03   0.21    -0.05   0.10   0.03
    11   6     0.05  -0.03   0.08    -0.01   0.02  -0.19    -0.07   0.00   0.08
    12   6    -0.02   0.03  -0.12     0.00   0.00  -0.02    -0.05  -0.01  -0.10
    13   6    -0.05  -0.02   0.05     0.02  -0.03   0.22     0.05   0.02   0.06
    14   6    -0.04  -0.10   0.10    -0.02   0.01  -0.20     0.05   0.12   0.04
    15   1     0.10  -0.14   0.12     0.06  -0.06   0.47    -0.13   0.15   0.14
    16   1     0.11  -0.02   0.19    -0.03   0.05  -0.42    -0.12  -0.04   0.20
    17   1    -0.03   0.10  -0.26     0.00   0.01  -0.05    -0.06  -0.07  -0.21
    18   1    -0.09   0.00   0.12     0.04  -0.05   0.47     0.14  -0.04   0.16
    19   1    -0.08  -0.14   0.25    -0.04   0.04  -0.41     0.10   0.13   0.15
                     10                     11                     12
                      A                      A                      A
 Frequencies --    499.0162               612.8037               638.1278
 Red. masses --      3.4016                 3.0190                 6.3136
 Frc consts  --      0.4991                 0.6680                 1.5147
 IR Inten    --     11.6171                18.1886                 0.3886
 RamAct Fr= 1--      4.0992                 1.0546                 4.5890
  Dep-P Fr= 1--      0.1749                 0.7400                 0.7500
  Dep-U Fr= 1--      0.2977                 0.8506                 0.8571
 Alpha2 Fr= 1--      0.0595                 0.0002                 0.0000
 Beta2  Fr= 1--      0.2034                 0.1495                 0.6556
 AlphaG Fr= 1--      0.0326                 0.0007                 0.0000
 Gamma2 Fr= 1--     -0.4664                -0.4064                -0.0066
 Delta2 Fr= 1--     -0.1357                 0.0168                 0.0120
 Raman1 Fr= 1--      16.397                  4.219                 18.356
 ROA1   Fr= 1--     -49.113                -38.474                 -0.255
 CID1   Fr= 1--      -2.995                 -9.120                 -0.014
 Raman2 Fr= 1--       2.441                  1.794                  7.867
 ROA2   Fr= 1--     -10.107                 -9.887                 -0.255
 CID2   Fr= 1--      -4.141                 -5.511                 -0.032
 Raman3 Fr= 1--       4.881                  3.588                 15.734
 ROA3   Fr= 1--     -49.113                -38.474                 -0.255
 CID3   Fr= 1--     -10.061                -10.722                 -0.016
 RC180  Fr= 1--      -0.405                  0.701                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03  -0.16   0.02     0.07  -0.02  -0.01    -0.01  -0.01   0.01
     2   6     0.20  -0.00   0.04    -0.14   0.05   0.17     0.02  -0.00  -0.03
     3   1     0.08  -0.10   0.05     0.15  -0.28   0.06    -0.04   0.03  -0.01
     4   1     0.37   0.03   0.07    -0.10   0.11   0.16     0.03  -0.02  -0.02
     5   6     0.09   0.17  -0.02    -0.01  -0.01   0.01     0.00  -0.02  -0.01
     6   6     0.07   0.00  -0.18    -0.14   0.01  -0.11     0.01  -0.14  -0.00
     7   1     0.09   0.30  -0.07     0.27   0.23  -0.04    -0.03  -0.05  -0.00
     8   1    -0.18  -0.01  -0.12     0.05  -0.11  -0.12     0.01  -0.01   0.01
     9   1     0.13   0.43  -0.12    -0.07  -0.26  -0.16     0.01  -0.01   0.02
    10   6    -0.04  -0.07   0.00    -0.03   0.07  -0.08    -0.24  -0.21   0.02
    11   6    -0.05  -0.05   0.08     0.02   0.08   0.11    -0.24   0.24   0.03
    12   6    -0.15   0.02  -0.10     0.12   0.02  -0.14    -0.01   0.14   0.04
    13   6    -0.05   0.05   0.09     0.03  -0.07   0.08     0.26   0.23  -0.01
    14   6    -0.03   0.05   0.01    -0.00  -0.09  -0.09     0.22  -0.21  -0.03
    15   1    -0.10  -0.03   0.18     0.11  -0.02   0.12    -0.11  -0.29  -0.04
    16   1     0.04  -0.03   0.24    -0.04   0.00   0.42    -0.09   0.33  -0.03
    17   1    -0.16   0.03  -0.15     0.12  -0.01  -0.07    -0.03  -0.28  -0.03
    18   1     0.02  -0.01   0.26    -0.04  -0.04   0.39     0.13   0.32  -0.05
    19   1    -0.11  -0.02   0.19     0.11  -0.06   0.13     0.07  -0.29  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.5879               750.8529               792.4071
 Red. masses --      1.7856                 3.0320                 2.0928
 Frc consts  --      0.5342                 1.0071                 0.7742
 IR Inten    --     41.6492                22.1313                 9.8022
 RamAct Fr= 1--      0.0485                11.4475                 5.3460
  Dep-P Fr= 1--      0.7298                 0.0768                 0.2179
  Dep-U Fr= 1--      0.8438                 0.1426                 0.3579
 Alpha2 Fr= 1--      0.0000                 0.2121                 0.0692
 Beta2  Fr= 1--      0.0068                 0.2721                 0.3188
 AlphaG Fr= 1--      0.0003                 0.0364                -0.0133
 Gamma2 Fr= 1--     -0.0375                -0.3927                -0.7180
 Delta2 Fr= 1--      0.0002                -0.0913                -0.0062
 Raman1 Fr= 1--       0.194                 45.790                 21.384
 ROA1   Fr= 1--      -3.598                -40.620                -69.124
 CID1   Fr= 1--     -18.551                 -0.887                 -3.233
 Raman2 Fr= 1--       0.082                  3.265                  3.826
 ROA2   Fr= 1--      -0.902                 -8.694                -17.181
 CID2   Fr= 1--     -11.024                 -2.663                 -4.490
 Raman3 Fr= 1--       0.164                  6.530                  7.652
 ROA3   Fr= 1--      -3.598                -40.620                -69.124
 CID3   Fr= 1--     -21.985                 -6.220                 -9.033
 RC180  Fr= 1--       0.688                 -0.715                 -0.284
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00     0.03  -0.07   0.04    -0.01  -0.02   0.02
     2   6    -0.00  -0.00   0.00     0.08  -0.03  -0.08     0.07  -0.04  -0.09
     3   1    -0.00  -0.03  -0.00    -0.02   0.04   0.01    -0.10   0.14  -0.03
     4   1     0.04   0.01   0.01     0.17  -0.10  -0.04    -0.08  -0.11  -0.09
     5   6    -0.00  -0.00  -0.00     0.07   0.08  -0.00     0.05   0.05  -0.02
     6   6    -0.02   0.01  -0.10    -0.11   0.02  -0.09    -0.00  -0.02   0.20
     7   1     0.02   0.02  -0.00    -0.06  -0.02   0.01    -0.19  -0.16   0.02
     8   1    -0.00  -0.01  -0.01     0.01   0.12   0.06     0.02   0.15   0.11
     9   1    -0.00  -0.01  -0.00     0.11   0.25   0.07     0.11   0.26   0.15
    10   6     0.00   0.01   0.08    -0.04   0.13   0.09    -0.03   0.05  -0.06
    11   6    -0.02   0.03  -0.14    -0.05   0.15   0.02    -0.03   0.06   0.01
    12   6     0.02  -0.01   0.07     0.15  -0.02   0.07     0.04   0.01  -0.12
    13   6    -0.02   0.00  -0.14    -0.07  -0.14  -0.02    -0.03  -0.06   0.00
    14   6     0.00  -0.02   0.07    -0.05  -0.13   0.06    -0.03  -0.04  -0.07
    15   1     0.06  -0.05   0.51     0.03   0.10  -0.14     0.00   0.03   0.00
    16   1    -0.00  -0.02   0.22    -0.29   0.10  -0.40    -0.05  -0.02   0.46
    17   1     0.07  -0.07   0.56     0.10   0.03  -0.38     0.09  -0.06   0.48
    18   1     0.00  -0.03   0.20    -0.27   0.01  -0.38    -0.06  -0.06   0.42
    19   1     0.06  -0.05   0.49     0.04  -0.06  -0.10    -0.00  -0.03  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    860.7018               902.9343               932.1247
 Red. masses --      1.2471                 2.4014                 1.3999
 Frc consts  --      0.5443                 1.1535                 0.7166
 IR Inten    --      0.1088                15.6494                 2.4269
 RamAct Fr= 1--      0.9676                 1.8079                 0.4815
  Dep-P Fr= 1--      0.7485                 0.6257                 0.6640
  Dep-U Fr= 1--      0.8562                 0.7698                 0.7980
 Alpha2 Fr= 1--      0.0000                 0.0041                 0.0007
 Beta2  Fr= 1--      0.1381                 0.2319                 0.0640
 AlphaG Fr= 1--      0.0002                -0.0025                 0.0011
 Gamma2 Fr= 1--     -0.1674                 1.4668                 1.0370
 Delta2 Fr= 1--     -0.1228                 1.2448                -0.1559
 Raman1 Fr= 1--       3.870                  7.232                  1.926
 ROA1   Fr= 1--     -20.005                180.650                 94.561
 CID1   Fr= 1--      -5.169                 24.981                 49.101
 Raman2 Fr= 1--       1.657                  2.783                  0.768
 ROA2   Fr= 1--      -3.036                 25.245                 26.135
 CID2   Fr= 1--      -1.833                  9.070                 34.009
 Raman3 Fr= 1--       3.314                  5.567                  1.537
 ROA3   Fr= 1--     -20.005                180.650                 94.561
 CID3   Fr= 1--      -6.037                 32.452                 61.526
 RC180  Fr= 1--       0.712                  0.540                  0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.06   0.15  -0.10     0.01  -0.01   0.01
     2   6    -0.00   0.00  -0.00     0.16  -0.03   0.09    -0.01   0.01  -0.00
     3   1    -0.01  -0.01  -0.00    -0.05   0.09  -0.09     0.03  -0.02   0.02
     4   1    -0.00   0.00   0.00     0.23   0.18   0.03     0.10   0.04   0.01
     5   6    -0.00  -0.00   0.00     0.00  -0.17   0.06    -0.02   0.00   0.01
     6   6     0.00  -0.00   0.00     0.04  -0.00   0.01    -0.01   0.01  -0.07
     7   1     0.00   0.00  -0.00    -0.04   0.20  -0.09     0.09   0.07   0.00
     8   1     0.00   0.00   0.00    -0.47  -0.59  -0.24     0.03  -0.02  -0.03
     9   1    -0.00  -0.00  -0.01     0.06   0.22  -0.13    -0.05  -0.10  -0.07
    10   6     0.01  -0.01   0.07    -0.01   0.03   0.01     0.01  -0.01   0.11
    11   6     0.01  -0.01   0.07    -0.03   0.05   0.01    -0.00   0.00  -0.02
    12   6    -0.00   0.00  -0.01     0.02   0.00  -0.01    -0.01   0.01  -0.10
    13   6    -0.01   0.01  -0.08    -0.05  -0.05   0.00     0.01   0.00   0.02
    14   6    -0.01   0.01  -0.07    -0.01  -0.04  -0.00     0.01  -0.00   0.08
    15   1    -0.05   0.06  -0.50    -0.03   0.05  -0.03    -0.05   0.07  -0.58
    16   1    -0.04   0.05  -0.47    -0.08   0.03   0.01     0.01  -0.02   0.11
    17   1     0.00  -0.00   0.05     0.03   0.01   0.05     0.06  -0.07   0.59
    18   1     0.05  -0.06   0.52    -0.11  -0.01   0.02    -0.00   0.02  -0.14
    19   1     0.05  -0.04   0.45    -0.03  -0.04  -0.03    -0.05   0.05  -0.43
                     19                     20                     21
                      A                      A                      A
 Frequencies --    969.7824               983.3983              1023.4296
 Red. masses --      1.3342                 1.2569                 2.5037
 Frc consts  --      0.7393                 0.7162                 1.5450
 IR Inten    --      0.0462                 0.3964                21.0657
 RamAct Fr= 1--      0.0164                 0.0394                44.5054
  Dep-P Fr= 1--      0.3934                 0.6915                 0.0790
  Dep-U Fr= 1--      0.5647                 0.8176                 0.1465
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.8200
 Beta2  Fr= 1--      0.0015                 0.0054                 1.0868
 AlphaG Fr= 1--     -0.0022                 0.0005                 0.2038
 Gamma2 Fr= 1--     -0.0550                -0.1119                -2.3126
 Delta2 Fr= 1--     -0.0005                 0.0613                -0.7491
 Raman1 Fr= 1--       0.066                  0.157                178.022
 ROA1   Fr= 1--      -5.301                 -8.779               -245.983
 CID1   Fr= 1--     -80.763                -55.765                 -1.382
 Raman2 Fr= 1--       0.019                  0.064                 13.041
 ROA2   Fr= 1--      -1.317                 -3.176                -49.509
 CID2   Fr= 1--     -71.055                -49.345                 -3.796
 Raman3 Fr= 1--       0.037                  0.129                 26.082
 ROA3   Fr= 1--      -5.301                 -8.779               -245.983
 CID3   Fr= 1--    -143.026                -68.204                 -9.431
 RC180  Fr= 1--       0.129                  0.635                 -0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.07  -0.05
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.04  -0.09   0.10
     3   1    -0.01   0.00  -0.00     0.01   0.01   0.00     0.12  -0.26   0.04
     4   1    -0.01   0.00  -0.00     0.03   0.01  -0.00    -0.30  -0.31   0.11
     5   6     0.00  -0.00   0.00    -0.01  -0.00   0.01     0.11   0.02  -0.04
     6   6     0.00  -0.00   0.01     0.00  -0.00  -0.01    -0.06   0.01  -0.05
     7   1    -0.01   0.00  -0.00     0.03   0.03   0.00    -0.29  -0.19  -0.02
     8   1    -0.01  -0.01  -0.00     0.00  -0.01  -0.01    -0.12   0.09   0.14
     9   1     0.00   0.01  -0.01    -0.01  -0.03  -0.02     0.23   0.46   0.22
    10   6     0.01  -0.01   0.08     0.00   0.00   0.01    -0.09  -0.15   0.02
    11   6    -0.01   0.01  -0.11    -0.00   0.00  -0.03     0.02  -0.04  -0.01
    12   6     0.00  -0.00   0.05     0.01  -0.01   0.06     0.16  -0.01  -0.02
    13   6     0.00  -0.01   0.04    -0.01   0.01  -0.10     0.02   0.04  -0.00
    14   6    -0.01   0.01  -0.08     0.01  -0.01   0.08    -0.07   0.13   0.04
    15   1    -0.05   0.05  -0.48    -0.01   0.02  -0.11    -0.08  -0.15  -0.11
    16   1     0.07  -0.07   0.64     0.02  -0.03   0.27     0.03  -0.04  -0.00
    17   1    -0.03   0.04  -0.34    -0.04   0.04  -0.42     0.17  -0.01   0.01
    18   1    -0.02   0.02  -0.18     0.06  -0.07   0.64     0.02   0.05   0.01
    19   1     0.05  -0.04   0.39    -0.07   0.05  -0.53    -0.09   0.15  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.8371              1055.5359              1080.2475
 Red. masses --      2.9917                 2.2297                 2.4730
 Frc consts  --      1.8585                 1.4637                 1.7003
 IR Inten    --     10.5173                17.2428                30.4845
 RamAct Fr= 1--     13.1907                20.3072                 3.9452
  Dep-P Fr= 1--      0.0526                 0.0474                 0.5952
  Dep-U Fr= 1--      0.0999                 0.0906                 0.7463
 Alpha2 Fr= 1--      0.2590                 0.4036                 0.0113
 Beta2  Fr= 1--      0.2196                 0.3066                 0.4907
 AlphaG Fr= 1--     -0.0386                -0.0443                -0.0229
 Gamma2 Fr= 1--      1.0587                 0.6872                 0.0559
 Delta2 Fr= 1--      0.6050                 0.3991                -0.2634
 Raman1 Fr= 1--      52.763                 81.229                 15.781
 ROA1   Fr= 1--     120.997                 78.739                 -3.065
 CID1   Fr= 1--       2.293                  0.969                 -0.194
 Raman2 Fr= 1--       2.635                  3.679                  5.888
 ROA2   Fr= 1--      20.569                 13.300                  3.447
 CID2   Fr= 1--       7.807                  3.615                  0.585
 Raman3 Fr= 1--       5.269                  7.358                 11.777
 ROA3   Fr= 1--     120.997                 78.739                 -3.065
 CID3   Fr= 1--      22.963                 10.701                 -0.260
 RC180  Fr= 1--      -0.800                 -0.819                  0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02  -0.05   0.03     0.02  -0.03   0.02     0.03  -0.07   0.05
     2   6     0.05   0.05  -0.09    -0.00   0.01  -0.06     0.01   0.24  -0.01
     3   1    -0.11   0.23  -0.05    -0.10   0.19  -0.05     0.03  -0.06   0.06
     4   1     0.29   0.25  -0.10     0.04   0.13  -0.08    -0.11   0.18  -0.01
     5   6    -0.09  -0.00   0.04     0.01  -0.01   0.04     0.01  -0.11  -0.06
     6   6     0.06  -0.02   0.05    -0.04  -0.01   0.02     0.01   0.08  -0.01
     7   1     0.29   0.21   0.02     0.09   0.18  -0.01    -0.32  -0.26  -0.06
     8   1     0.12  -0.08  -0.13    -0.07  -0.14  -0.08    -0.20  -0.10   0.03
     9   1    -0.20  -0.42  -0.20    -0.00   0.01  -0.08     0.06   0.13   0.08
    10   6    -0.11  -0.17  -0.03    -0.04   0.07   0.01    -0.10  -0.07   0.00
    11   6    -0.03   0.08   0.01     0.02  -0.18  -0.02     0.05  -0.06  -0.01
    12   6     0.19  -0.02  -0.02     0.13  -0.02  -0.01     0.03   0.08   0.01
    13   6    -0.04  -0.07  -0.00     0.04   0.19   0.02    -0.06  -0.05  -0.00
    14   6    -0.09   0.21   0.01    -0.05  -0.05  -0.01     0.06  -0.06  -0.00
    15   1    -0.04  -0.22   0.07    -0.28   0.21   0.08    -0.33   0.07   0.04
    16   1    -0.03   0.08   0.01    -0.30  -0.36  -0.01     0.23   0.02  -0.02
    17   1     0.19  -0.04  -0.05     0.14  -0.05  -0.02     0.05   0.48   0.05
    18   1     0.00  -0.09  -0.01    -0.24   0.39   0.05    -0.26   0.07   0.04
    19   1    -0.05   0.22   0.11    -0.34  -0.20   0.05     0.29   0.06  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1087.6397              1130.7087              1185.6749
 Red. masses --      1.7013                 1.8254                 1.1184
 Frc consts  --      1.1858                 1.3750                 0.9264
 IR Inten    --     31.8936                 7.0848                 0.0607
 RamAct Fr= 1--      1.5640                 0.7555                 4.1964
  Dep-P Fr= 1--      0.2414                 0.7473                 0.7334
  Dep-U Fr= 1--      0.3890                 0.8554                 0.8462
 Alpha2 Fr= 1--      0.0190                 0.0000                 0.0012
 Beta2  Fr= 1--      0.1014                 0.1077                 0.5918
 AlphaG Fr= 1--     -0.0302                -0.0010                -0.0042
 Gamma2 Fr= 1--      0.2258                 0.5588                -0.0426
 Delta2 Fr= 1--      0.2870                 0.0161                -0.1527
 Raman1 Fr= 1--       6.256                  3.022                 16.786
 ROA1   Fr= 1--      30.863                 54.155                 -8.971
 CID1   Fr= 1--       4.933                 17.920                 -0.534
 Raman2 Fr= 1--       1.217                  1.293                  7.102
 ROA2   Fr= 1--       3.124                 13.281                  0.200
 CID2   Fr= 1--       2.568                 10.276                  0.028
 Raman3 Fr= 1--       2.433                  2.585                 14.204
 ROA3   Fr= 1--      30.863                 54.155                 -8.971
 CID3   Fr= 1--      12.683                 20.950                 -0.632
 RC180  Fr= 1--      -0.222                  0.711                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.05  -0.03   0.03     0.01  -0.04   0.04     0.00   0.00  -0.00
     2   6    -0.10  -0.03  -0.10    -0.01   0.18  -0.00    -0.01  -0.01  -0.00
     3   1    -0.18   0.33  -0.09     0.03  -0.03   0.04    -0.01   0.01  -0.00
     4   1    -0.23   0.13  -0.17    -0.09   0.18  -0.02    -0.04  -0.01  -0.01
     5   6     0.09  -0.00   0.10     0.02  -0.08  -0.04     0.00   0.00   0.01
     6   6    -0.11   0.00   0.01     0.00  -0.02  -0.01     0.01   0.00  -0.00
     7   1     0.06   0.39  -0.05    -0.26  -0.18  -0.05     0.01   0.02   0.00
     8   1    -0.26  -0.31  -0.13    -0.18  -0.09   0.02    -0.00  -0.01  -0.01
     9   1     0.14   0.36  -0.10     0.08   0.18   0.06     0.00   0.01  -0.01
    10   6     0.00  -0.03  -0.01     0.09   0.00  -0.01     0.01  -0.01  -0.00
    11   6     0.04   0.00  -0.00    -0.04   0.05   0.01    -0.04  -0.02   0.00
    12   6    -0.05   0.01   0.01    -0.00  -0.06  -0.01     0.01   0.07   0.01
    13   6     0.03  -0.01  -0.01     0.04   0.03   0.00     0.04  -0.03  -0.01
    14   6     0.02   0.03   0.00    -0.09   0.02   0.01    -0.01  -0.01  -0.00
    15   1     0.13  -0.11  -0.01     0.38  -0.17  -0.06     0.10  -0.07  -0.02
    16   1     0.22   0.09  -0.02    -0.17  -0.01   0.01    -0.42  -0.21   0.02
    17   1    -0.05   0.03   0.01    -0.03  -0.46  -0.05     0.04   0.66   0.07
    18   1     0.18  -0.11  -0.03     0.22  -0.08  -0.04     0.42  -0.27  -0.07
    19   1     0.20   0.13  -0.02    -0.44  -0.15   0.02    -0.21  -0.11   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1209.9564              1224.4277              1266.8272
 Red. masses --      1.1444                 2.1628                 1.4704
 Frc consts  --      0.9872                 1.9105                 1.3904
 IR Inten    --      2.2186                 9.1259                11.3267
 RamAct Fr= 1--      6.6606                16.2768                 8.9623
  Dep-P Fr= 1--      0.3667                 0.0912                 0.1412
  Dep-U Fr= 1--      0.5367                 0.1671                 0.2475
 Alpha2 Fr= 1--      0.0553                 0.2912                 0.1417
 Beta2  Fr= 1--      0.5958                 0.4533                 0.3696
 AlphaG Fr= 1--      0.0044                 0.0099                 0.1600
 Gamma2 Fr= 1--      0.3614                 0.8487                -0.8981
 Delta2 Fr= 1--      0.1331                 0.0299                -0.1592
 Raman1 Fr= 1--      26.642                 65.107                 35.849
 ROA1   Fr= 1--      38.955                 82.429                -91.311
 CID1   Fr= 1--       1.462                  1.266                 -2.547
 Raman2 Fr= 1--       7.149                  5.440                  4.436
 ROA2   Fr= 1--       7.609                 20.129                -20.280
 CID2   Fr= 1--       1.064                  3.700                 -4.572
 Raman3 Fr= 1--      14.298                 10.880                  8.871
 ROA3   Fr= 1--      38.955                 82.429                -91.311
 CID3   Fr= 1--       2.724                  7.576                -10.293
 RC180  Fr= 1--       0.073                 -0.666                 -0.505
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.02  -0.01   0.01     0.02  -0.03  -0.02
     2   6     0.02   0.01  -0.00    -0.11  -0.03   0.02     0.09  -0.04   0.13
     3   1     0.02  -0.04   0.01    -0.10   0.19  -0.06    -0.34   0.62  -0.23
     4   1     0.09   0.01   0.01    -0.69  -0.02  -0.10    -0.33   0.41  -0.09
     5   6    -0.01  -0.01  -0.01     0.02   0.02   0.04    -0.03   0.01  -0.07
     6   6    -0.04  -0.01   0.01     0.24   0.04  -0.07    -0.06  -0.00  -0.04
     7   1    -0.01  -0.03   0.00     0.02   0.16  -0.01    -0.01  -0.19   0.02
     8   1     0.01   0.00  -0.00    -0.05  -0.04  -0.00     0.10   0.16   0.07
     9   1     0.00   0.02   0.00     0.02   0.07  -0.02    -0.02  -0.08   0.14
    10   6     0.05  -0.03  -0.01     0.06  -0.03  -0.00    -0.01   0.01   0.01
    11   6    -0.04  -0.03   0.00    -0.08   0.04   0.02     0.02  -0.01  -0.00
    12   6    -0.01   0.00   0.00     0.02   0.01  -0.00    -0.00  -0.01  -0.00
    13   6    -0.03   0.03   0.01    -0.07  -0.06   0.00     0.01   0.01   0.00
    14   6     0.04   0.03  -0.00     0.04  -0.01   0.00    -0.00   0.00   0.01
    15   1     0.46  -0.29  -0.08    -0.10   0.07  -0.00     0.05  -0.03  -0.05
    16   1    -0.45  -0.24   0.02    -0.27  -0.05   0.01     0.03  -0.00  -0.01
    17   1    -0.01   0.05   0.01     0.01  -0.07  -0.01    -0.00   0.02   0.00
    18   1    -0.31   0.22   0.06    -0.42   0.16   0.05     0.06  -0.02  -0.01
    19   1     0.46   0.25  -0.03    -0.11  -0.09  -0.02     0.04   0.03  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1325.7470              1356.6881              1373.5091
 Red. masses --      2.9171                 1.9555                 1.3740
 Frc consts  --      3.0208                 2.1206                 1.5272
 IR Inten    --      7.1212                 6.3985                15.6727
 RamAct Fr= 1--      4.6952                 0.5778                 4.7632
  Dep-P Fr= 1--      0.1002                 0.7319                 0.4126
  Dep-U Fr= 1--      0.1821                 0.8452                 0.5842
 Alpha2 Fr= 1--      0.0822                 0.0002                 0.0337
 Beta2  Fr= 1--      0.1425                 0.0814                 0.4638
 AlphaG Fr= 1--     -0.0604                -0.0036                -0.0072
 Gamma2 Fr= 1--      0.7513                 0.9804                -2.2238
 Delta2 Fr= 1--     -0.1012                -0.7587                -0.1324
 Raman1 Fr= 1--      18.781                  2.311                 19.053
 ROA1   Fr= 1--      68.885                 69.846               -217.723
 CID1   Fr= 1--       3.668                 30.220                -11.427
 Raman2 Fr= 1--       1.710                  0.977                  5.565
 ROA2   Fr= 1--      18.840                 29.600                -52.312
 CID2   Fr= 1--      11.017                 30.305                 -9.400
 Raman3 Fr= 1--       3.420                  1.953                 11.130
 ROA3   Fr= 1--      68.885                 69.846               -217.723
 CID3   Fr= 1--      20.141                 35.755                -19.561
 RC180  Fr= 1--      -0.636                  0.690                  0.168
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.01
     2   6     0.13  -0.00  -0.02    -0.07  -0.03   0.02    -0.11  -0.06   0.02
     3   1     0.01  -0.03  -0.00    -0.05   0.08  -0.03    -0.06   0.11  -0.04
     4   1    -0.32  -0.38   0.01     0.40   0.29   0.01     0.57   0.34   0.03
     5   6    -0.07   0.01   0.04     0.03   0.00  -0.03     0.02  -0.03  -0.04
     6   6    -0.06   0.26   0.03     0.02   0.02   0.01     0.03   0.07   0.02
     7   1     0.19   0.06   0.06    -0.10  -0.05  -0.03    -0.03   0.04  -0.06
     8   1     0.14  -0.05  -0.11    -0.08   0.06   0.08     0.02   0.15   0.14
     9   1    -0.10  -0.10  -0.08     0.04   0.00   0.07     0.08   0.18   0.10
    10   6     0.06  -0.08  -0.01     0.13  -0.06  -0.02    -0.02   0.01   0.00
    11   6    -0.10  -0.10  -0.00    -0.08  -0.03   0.00    -0.03  -0.02   0.00
    12   6     0.01   0.10   0.01     0.01   0.14   0.01    -0.00  -0.03  -0.00
    13   6     0.12  -0.07  -0.02     0.07  -0.04  -0.01     0.02  -0.03  -0.01
    14   6    -0.10  -0.08   0.00    -0.14  -0.04   0.01     0.04   0.01  -0.01
    15   1     0.32  -0.25  -0.06    -0.43   0.29   0.08     0.26  -0.17  -0.04
    16   1     0.39   0.14  -0.02    -0.12  -0.05   0.01     0.21   0.10  -0.01
    17   1    -0.00  -0.08  -0.01    -0.01  -0.29  -0.03     0.01   0.21   0.02
    18   1    -0.22   0.15   0.04     0.12  -0.06  -0.01    -0.26   0.15   0.04
    19   1    -0.19  -0.13   0.01     0.41   0.24  -0.02    -0.31  -0.17   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1407.3434              1410.6040              1486.5301
 Red. masses --      1.1950                 1.2382                 2.1007
 Frc consts  --      1.3945                 1.4516                 2.7350
 IR Inten    --     32.1707                30.7261                11.0043
 RamAct Fr= 1--      3.7991                 3.2901                 1.9650
  Dep-P Fr= 1--      0.7459                 0.7487                 0.6195
  Dep-U Fr= 1--      0.8545                 0.8563                 0.7650
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0047
 Beta2  Fr= 1--      0.5410                 0.4695                 0.2505
 AlphaG Fr= 1--      0.0030                 0.0021                 0.0183
 Gamma2 Fr= 1--      0.8504                 0.5581                 0.3989
 Delta2 Fr= 1--     -0.6289                 0.5085                -0.1059
 Raman1 Fr= 1--      15.196                 13.160                  7.860
 ROA1   Fr= 1--      61.514                 69.847                 34.904
 CID1   Fr= 1--       4.048                  5.307                  4.441
 Raman2 Fr= 1--       6.493                  5.635                  3.006
 ROA2   Fr= 1--      25.440                  9.325                 10.421
 CID2   Fr= 1--       3.918                  1.655                  3.466
 Raman3 Fr= 1--      12.985                 11.269                  6.013
 ROA3   Fr= 1--      61.514                 69.847                 34.904
 CID3   Fr= 1--       4.737                  6.198                  5.805
 RC180  Fr= 1--       0.709                  0.713                  0.530
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02   0.04    -0.02   0.02   0.04    -0.00  -0.00  -0.00
     2   6     0.04  -0.03  -0.03     0.01  -0.07  -0.03     0.03   0.04   0.01
     3   1     0.19  -0.33   0.15     0.18  -0.29   0.14    -0.01  -0.00  -0.00
     4   1    -0.23   0.47  -0.25    -0.15   0.53  -0.26    -0.14  -0.09   0.01
     5   6    -0.06  -0.08  -0.02     0.05   0.09   0.01     0.00  -0.02   0.01
     6   6    -0.00  -0.00  -0.01    -0.01   0.01  -0.00    -0.02  -0.15  -0.02
     7   1     0.26   0.22  -0.06    -0.21  -0.34   0.11    -0.15   0.13  -0.08
     8   1     0.36   0.20   0.11    -0.23  -0.22  -0.22     0.05   0.08   0.11
     9   1     0.06   0.41   0.04    -0.05  -0.35  -0.05    -0.01  -0.01  -0.16
    10   6     0.00  -0.00   0.00    -0.00   0.01   0.00     0.09   0.05  -0.00
    11   6     0.00  -0.00  -0.00    -0.01  -0.01   0.00    -0.14   0.01   0.01
    12   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.12  -0.01
    13   6    -0.00   0.00   0.00     0.02  -0.01  -0.00     0.13  -0.00  -0.01
    14   6    -0.01  -0.00   0.00     0.00   0.01   0.00    -0.08   0.06   0.02
    15   1    -0.05   0.03   0.01     0.06  -0.03  -0.01    -0.10   0.19   0.03
    16   1    -0.01  -0.01  -0.00     0.07   0.04  -0.00     0.32   0.26  -0.00
    17   1     0.00  -0.03  -0.00     0.00   0.08   0.01     0.04   0.60   0.06
    18   1     0.04  -0.02  -0.01    -0.07   0.05   0.01    -0.28   0.28   0.06
    19   1     0.04   0.02  -0.00    -0.05  -0.02   0.00     0.10   0.17   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1496.5011              1497.8098              1534.4018
 Red. masses --      1.0739                 1.0560                 2.1825
 Frc consts  --      1.4171                 1.3958                 3.0275
 IR Inten    --      3.5379                 8.0368                 8.1864
 RamAct Fr= 1--      4.7871                 4.6150                 0.2585
  Dep-P Fr= 1--      0.6958                 0.6077                 0.6795
  Dep-U Fr= 1--      0.8206                 0.7560                 0.8091
 Alpha2 Fr= 1--      0.0045                 0.0121                 0.0003
 Beta2  Fr= 1--      0.6547                 0.5815                 0.0349
 AlphaG Fr= 1--     -0.0035                -0.0099                 0.0005
 Gamma2 Fr= 1--     -2.7313                 0.4706                 0.4076
 Delta2 Fr= 1--     -0.3438                 0.8723                -0.1575
 Raman1 Fr= 1--      19.148                 18.460                  1.034
 ROA1   Fr= 1--    -273.207                 73.089                 34.092
 CID1   Fr= 1--     -14.268                  3.959                 32.971
 Raman2 Fr= 1--       7.857                  6.978                  0.418
 ROA2   Fr= 1--     -62.801                  4.316                 11.043
 CID2   Fr= 1--      -7.993                  0.619                 26.397
 Raman3 Fr= 1--      15.714                 13.956                  0.837
 ROA3   Fr= 1--    -273.207                 73.089                 34.092
 CID3   Fr= 1--     -17.387                  5.237                 40.748
 RC180  Fr= 1--       0.641                  0.512                  0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00  -0.00
     2   6    -0.02   0.02  -0.01    -0.03   0.01   0.02    -0.03  -0.00   0.00
     3   1     0.01   0.00   0.00    -0.04   0.08  -0.03     0.01   0.00   0.00
     4   1     0.01  -0.06   0.02     0.09  -0.01   0.05    -0.02   0.00  -0.00
     5   6    -0.03   0.02  -0.04    -0.02   0.02   0.04     0.00   0.00  -0.00
     6   6     0.00  -0.03  -0.00     0.01  -0.01  -0.00     0.14  -0.00  -0.01
     7   1     0.60  -0.24   0.18    -0.07  -0.43   0.17     0.01   0.02  -0.01
     8   1    -0.18  -0.22  -0.22     0.51  -0.21  -0.43    -0.05   0.00   0.02
     9   1     0.07   0.13   0.61     0.02   0.38  -0.35     0.00  -0.01   0.03
    10   6     0.02   0.00  -0.00     0.00   0.00  -0.00    -0.06   0.09   0.02
    11   6    -0.02   0.01   0.00    -0.01  -0.00   0.00    -0.11  -0.09   0.00
    12   6    -0.00  -0.02  -0.00     0.00  -0.00  -0.00     0.10  -0.03  -0.01
    13   6     0.02  -0.00  -0.00    -0.00   0.00   0.00    -0.11   0.12   0.02
    14   6    -0.01   0.01   0.00    -0.00   0.00   0.00    -0.08  -0.10  -0.00
    15   1    -0.04   0.04  -0.00    -0.02   0.02   0.01     0.41  -0.19  -0.06
    16   1     0.03   0.04   0.00     0.02   0.01  -0.00     0.43   0.18  -0.02
    17   1     0.00   0.09   0.01     0.00   0.01   0.00     0.13   0.03  -0.01
    18   1    -0.05   0.04   0.01     0.00   0.00   0.00     0.43  -0.21  -0.06
    19   1     0.01   0.02   0.00     0.02   0.01  -0.00     0.43   0.15  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1627.7043              1649.3763              3028.0905
 Red. masses --      5.4621                 5.5004                 1.0736
 Frc consts  --      8.5264                 8.8163                 5.7999
 IR Inten    --      0.8399                 1.6432                 7.1099
 RamAct Fr= 1--      7.0832                44.5223               263.1888
  Dep-P Fr= 1--      0.7436                 0.5970                 0.0853
  Dep-U Fr= 1--      0.8529                 0.7476                 0.1572
 Alpha2 Fr= 1--      0.0008                 0.1264                 4.7762
 Beta2  Fr= 1--      1.0069                 5.5478                 6.8943
 AlphaG Fr= 1--     -0.0129                 0.0102                -1.9489
 Gamma2 Fr= 1--      0.5096                 1.1445                -1.3404
 Delta2 Fr= 1--      0.1660                -0.3776                -1.2279
 Raman1 Fr= 1--      28.333                178.089               1052.755
 ROA1   Fr= 1--      54.230                 97.788               -167.972
 CID1   Fr= 1--       1.914                  0.549                 -0.160
 Raman2 Fr= 1--      12.083                 66.574                 82.731
 ROA2   Fr= 1--      10.902                 30.489                -22.347
 CID2   Fr= 1--       0.902                  0.458                 -0.270
 Raman3 Fr= 1--      24.166                133.148                165.463
 ROA3   Fr= 1--      54.230                 97.788               -167.972
 CID3   Fr= 1--       2.244                  0.734                 -1.015
 RC180  Fr= 1--       0.706                  0.495                 -0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.01   0.04   0.00     0.03  -0.00  -0.00     0.01  -0.02  -0.07
     3   1     0.00  -0.01   0.00    -0.01   0.00  -0.00     0.01  -0.01  -0.01
     4   1    -0.10  -0.05   0.01     0.04  -0.01   0.01    -0.16   0.26   0.79
     5   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.02   0.02
     6   6    -0.00  -0.29  -0.03    -0.21   0.03   0.03     0.00  -0.00  -0.00
     7   1    -0.00   0.01  -0.01    -0.01  -0.01   0.00     0.08  -0.15  -0.43
     8   1    -0.03  -0.00   0.01     0.00   0.00  -0.00     0.04  -0.14   0.13
     9   1     0.01   0.02   0.02    -0.00  -0.02  -0.01    -0.15   0.03   0.02
    10   6    -0.09   0.20   0.03     0.28  -0.10  -0.04    -0.00  -0.00  -0.00
    11   6    -0.09  -0.21  -0.02    -0.27  -0.06   0.02     0.00  -0.00  -0.00
    12   6     0.03   0.36   0.04     0.14  -0.00  -0.01     0.00   0.00   0.00
    13   6     0.04  -0.20  -0.03    -0.27   0.08   0.04     0.00   0.00  -0.00
    14   6     0.11   0.17   0.01     0.30   0.06  -0.02    -0.00   0.00   0.00
    15   1     0.35  -0.07  -0.04    -0.30   0.26   0.06     0.01   0.01   0.00
    16   1     0.28  -0.05  -0.03     0.25   0.21  -0.00     0.00   0.00  -0.00
    17   1    -0.01  -0.50  -0.06     0.15  -0.02  -0.02    -0.00   0.00   0.00
    18   1    -0.21  -0.06   0.01     0.24  -0.25  -0.05     0.00  -0.00  -0.00
    19   1    -0.27  -0.02   0.03    -0.32  -0.27   0.01     0.00  -0.00  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3035.0030              3097.0587              3117.3157
 Red. masses --      1.0471                 1.1002                 1.1009
 Frc consts  --      5.6825                 6.2174                 6.3032
 IR Inten    --     19.0612                28.5173                22.6329
 RamAct Fr= 1--     51.0985                50.4926               106.6532
  Dep-P Fr= 1--      0.1274                 0.4168                 0.5473
  Dep-U Fr= 1--      0.2261                 0.5884                 0.7074
 Alpha2 Fr= 1--      0.8360                 0.3518                 0.4139
 Beta2  Fr= 1--      1.9252                 4.9518                12.5751
 AlphaG Fr= 1--      0.2369                 1.0766                -0.4329
 Gamma2 Fr= 1--      1.3478                 0.9389                -2.5195
 Delta2 Fr= 1--     -1.0034                 2.9839                -2.7175
 Raman1 Fr= 1--     204.394                201.970                426.613
 ROA1   Fr= 1--      97.277                185.614               -328.834
 CID1   Fr= 1--       0.476                  0.919                 -0.771
 Raman2 Fr= 1--      23.103                 59.421                150.901
 ROA2   Fr= 1--      40.373                 -1.338                -38.729
 CID2   Fr= 1--       1.748                 -0.023                 -0.257
 Raman3 Fr= 1--      46.205                118.843                301.802
 ROA3   Fr= 1--      97.277                185.614               -328.834
 CID3   Fr= 1--       2.105                  1.562                 -1.090
 RC180  Fr= 1--      -0.548                  0.177                  0.415
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.01  -0.01  -0.04     0.00  -0.00  -0.01    -0.00   0.00   0.00
     3   1     0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.00   0.00  -0.00
     4   1    -0.09   0.14   0.45    -0.03   0.05   0.14     0.01  -0.02  -0.04
     5   6    -0.01  -0.04  -0.01     0.01   0.02  -0.09    -0.08   0.04   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1    -0.10   0.19   0.54    -0.11   0.22   0.59     0.02  -0.06  -0.20
     8   1    -0.13   0.37  -0.34     0.19  -0.53   0.46     0.09  -0.28   0.26
     9   1     0.39  -0.09  -0.04    -0.16   0.04  -0.00     0.87  -0.18  -0.09
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.01  -0.00     0.01   0.01   0.00     0.02   0.02   0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    17   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3166.9710              3175.5023              3187.0981
 Red. masses --      1.0850                 1.0881                 1.0915
 Frc consts  --      6.4116                 6.4645                 6.5322
 IR Inten    --      0.4105                 6.7096                14.9840
 RamAct Fr= 1--     45.5555               128.2875                52.7216
  Dep-P Fr= 1--      0.6836                 0.7460                 0.6422
  Dep-U Fr= 1--      0.8121                 0.8545                 0.7821
 Alpha2 Fr= 1--      0.0533                 0.0087                 0.1025
 Beta2  Fr= 1--      6.1656                18.2708                 6.8727
 AlphaG Fr= 1--     -0.0082                -0.0058                -0.0679
 Gamma2 Fr= 1--     -0.0626                 0.9187                 0.2128
 Delta2 Fr= 1--      0.2312                 0.3570                -1.1079
 Raman1 Fr= 1--     182.222                513.150                210.887
 ROA1   Fr= 1--       1.386                 99.615                -15.024
 CID1   Fr= 1--       0.008                  0.194                 -0.071
 Raman2 Fr= 1--      73.987                219.250                 82.472
 ROA2   Fr= 1--      -3.353                 19.192                 13.970
 CID2   Fr= 1--      -0.045                  0.088                  0.169
 Raman3 Fr= 1--     147.974                438.500                164.945
 ROA3   Fr= 1--       1.386                 99.615                -15.024
 CID3   Fr= 1--       0.009                  0.227                 -0.091
 RC180  Fr= 1--       0.624                  0.709                  0.564
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.01   0.00     0.00  -0.01   0.01    -0.00   0.01  -0.01
     9   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    10   6     0.01   0.01   0.00     0.01   0.02   0.00    -0.01  -0.02  -0.00
    11   6     0.02  -0.04  -0.01     0.03  -0.05  -0.01    -0.01   0.03   0.00
    12   6    -0.05   0.00   0.00    -0.01   0.00   0.00    -0.06   0.00   0.01
    13   6     0.03   0.04   0.00    -0.03  -0.04  -0.00     0.00  -0.00  -0.00
    14   6     0.01  -0.02  -0.00    -0.01   0.03   0.00    -0.02   0.05   0.01
    15   1    -0.08  -0.13  -0.01    -0.13  -0.20  -0.01     0.15   0.23   0.01
    16   1    -0.23   0.45   0.07    -0.29   0.59   0.10     0.14  -0.29  -0.05
    17   1     0.57  -0.03  -0.06     0.08  -0.01  -0.01     0.63  -0.03  -0.06
    18   1    -0.31  -0.47  -0.03     0.32   0.50   0.03    -0.01   0.00   0.00
    19   1    -0.11   0.21   0.03     0.16  -0.33  -0.05     0.29  -0.56  -0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3194.3051              3201.2175              3776.7472
 Red. masses --      1.0945                 1.0940                 1.0660
 Frc consts  --      6.5797                 6.6051                 8.9583
 IR Inten    --     19.6470                 7.3182                18.2674
 RamAct Fr= 1--    134.2562               234.0005                73.3436
  Dep-P Fr= 1--      0.0953                 0.1046                 0.1259
  Dep-U Fr= 1--      0.1739                 0.1894                 0.2237
 Alpha2 Fr= 1--      2.3781                 4.0510                 1.2045
 Beta2  Fr= 1--      3.8920                 7.3865                 2.7346
 AlphaG Fr= 1--      0.4944                -0.0550                 0.9973
 Gamma2 Fr= 1--      3.5932                -2.6998                 8.0279
 Delta2 Fr= 1--      3.4685                -2.2808                 0.4274
 Raman1 Fr= 1--     537.025                936.002                293.374
 ROA1   Fr= 1--     455.936               -332.167                784.357
 CID1   Fr= 1--       0.849                 -0.355                  2.674
 Raman2 Fr= 1--      46.703                 88.638                 32.816
 ROA2   Fr= 1--      58.488                -46.549                189.251
 CID2   Fr= 1--       1.252                 -0.525                  5.767
 Raman3 Fr= 1--      93.407                177.276                 65.631
 ROA3   Fr= 1--     455.936               -332.167                784.357
 CID3   Fr= 1--       4.881                 -1.874                 11.951
 RC180  Fr= 1--      -0.652                 -0.621                 -0.553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.06
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.29   0.14   0.95
     4   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.01
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00  -0.00
     8   1    -0.00   0.01  -0.01    -0.01   0.02  -0.02    -0.00  -0.00   0.00
     9   1    -0.01   0.00   0.00    -0.01   0.00   0.00     0.00   0.00  -0.00
    10   6    -0.02  -0.03  -0.00    -0.04  -0.06  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.01   0.00     0.02  -0.03  -0.01    -0.00  -0.00  -0.00
    12   6    -0.04   0.00   0.00     0.02   0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.03  -0.04  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    14   6     0.03  -0.05  -0.01    -0.01   0.01   0.00     0.00   0.00  -0.00
    15   1     0.20   0.32   0.02     0.45   0.70   0.04    -0.00  -0.00   0.00
    16   1     0.02  -0.06  -0.01    -0.19   0.37   0.06     0.00  -0.00  -0.00
    17   1     0.42  -0.02  -0.04    -0.27   0.01   0.03     0.00  -0.00   0.00
    18   1     0.29   0.45   0.02    -0.09  -0.15  -0.01     0.00   0.00   0.00
    19   1    -0.28   0.54   0.08     0.06  -0.11  -0.02    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   521.722681532.203461968.36885
           X            0.99962   0.02743  -0.00325
           Y           -0.02740   0.99960   0.00701
           Z            0.00344  -0.00692   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16602     0.05653     0.04400
 Rotational constants (GHZ):           3.45920     1.17787     0.91687
 Zero-point vibrational energy     422754.7 (Joules/Mol)
                                  101.04079 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     38.35   209.21   316.64   398.83   417.34
          (Kelvin)            494.02   570.95   595.55   681.96   717.97
                              881.69   918.12  1025.26  1080.31  1140.10
                             1238.36  1299.12  1341.12  1395.30  1414.89
                             1472.49  1477.39  1518.68  1554.24  1564.87
                             1626.84  1705.92  1740.86  1761.68  1822.68
                             1907.45  1951.97  1976.17  2024.85  2029.54
                             2138.79  2153.13  2155.01  2207.66  2341.90
                             2373.08  4356.75  4366.69  4455.98  4485.12
                             4556.56  4568.84  4585.52  4595.89  4605.84
                             5433.90
 
 Zero-point correction=                           0.161019 (Hartree/Particle)
 Thermal correction to Energy=                    0.169366
 Thermal correction to Enthalpy=                  0.170310
 Thermal correction to Gibbs Free Energy=         0.127380
 Sum of electronic and zero-point Energies=           -386.114894
 Sum of electronic and thermal Energies=              -386.106548
 Sum of electronic and thermal Enthalpies=            -386.105603
 Sum of electronic and thermal Free Energies=         -386.148533
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.278             32.215             90.353
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.844
 Vibrational            104.501             26.253             21.196
 Vibration     1          0.593              1.984              6.064
 Vibration     2          0.617              1.908              2.731
 Vibration     3          0.647              1.811              1.958
 Vibration     4          0.678              1.716              1.551
 Vibration     5          0.686              1.692              1.474
 Vibration     6          0.722              1.589              1.196
 Vibration     7          0.763              1.477              0.974
 Vibration     8          0.778              1.440              0.913
 Vibration     9          0.831              1.308              0.726
 Vibration    10          0.854              1.252              0.661
 Vibration    11          0.972              1.005              0.428
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.256598D-58        -58.590747       -134.910180
 Total V=0       0.296941D+16         15.472671         35.627140
 Vib (Bot)       0.107793D-71        -71.967408       -165.711081
 Vib (Bot)    1  0.776928D+01          0.890381          2.050177
 Vib (Bot)    2  0.139628D+01          0.144973          0.333813
 Vib (Bot)    3  0.898764D+00         -0.046354         -0.106735
 Vib (Bot)    4  0.694599D+00         -0.158266         -0.364421
 Vib (Bot)    5  0.659246D+00         -0.180953         -0.416659
 Vib (Bot)    6  0.539638D+00         -0.267898         -0.616857
 Vib (Bot)    7  0.450186D+00         -0.346608         -0.798095
 Vib (Bot)    8  0.426166D+00         -0.370421         -0.852925
 Vib (Bot)    9  0.354664D+00         -0.450183         -1.036585
 Vib (Bot)   10  0.329641D+00         -0.481959         -1.109751
 Vib (Bot)   11  0.240452D+00         -0.618971         -1.425234
 Vib (V=0)       0.124741D+03          2.096009          4.826240
 Vib (V=0)    1  0.828535D+01          0.918311          2.114489
 Vib (V=0)    2  0.198311D+01          0.297346          0.684664
 Vib (V=0)    3  0.152848D+01          0.184261          0.424276
 Vib (V=0)    4  0.135584D+01          0.132209          0.304423
 Vib (V=0)    5  0.132741D+01          0.123005          0.283229
 Vib (V=0)    6  0.123567D+01          0.091902          0.211613
 Vib (V=0)    7  0.117281D+01          0.069226          0.159399
 Vib (V=0)    8  0.115698D+01          0.063324          0.145810
 Vib (V=0)    9  0.111301D+01          0.046501          0.107072
 Vib (V=0)   10  0.109889D+01          0.040952          0.094296
 Vib (V=0)   11  0.105481D+01          0.023175          0.053363
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.449032D+06          5.652277         13.014849
 
                                                          ROA calculations.
                                                             IR Spectrum
 
      3               3333333 33                                             11 1111111111111111111                                  
      7               2111110 00                                             66 54444433322211000009999 8 77 7 66   4443 322 2  1    
      7               0987619 32                                             42 39981075262183885228730 6 95 1 31   9719 497 2  4   2
      7               1476777 58                                             98 48771747674061806733023 1 21 3 83   9447 307 0  5   7
 
      X               XXXXXXX XX                                             XX XXXXXXXXXXXXXXXXXXXX XX X XX X XX   XXXX XXX X  X   X
      X               XXXX XX XX                                                XX XXXXXXXX  XXXXXX   X   XX X  X   XX   XXX         
      X                XX  XX X                                                 XX XXXX  XX   XXXXX   X   XX X  X   XX   XXX         
      X                XX  XX X                                                    XXXX  X    XXX X   X    X X  X   X    XXX         
      X                XX  XX X                                                     XXX       XXX X   X    X X  X        XXX         
      X                X   XX X                                                     XX        XXX X        X X  X        XXX         
                           XX                                                       XX        XX  X        X X            XX         
                            X                                                       XX        XX             X            XX         
                            X                                                       XX        XX             X            XX         
                                                                                    XX        XX             X            XX         
                                                                                     X                       X            XX         
                                                                                                             X            XX         
                                                                                                             X            XX         
                                                                                                             X            XX         
                                                                                                                          XX         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000003628    0.000002084   -0.000005617
      2        6           0.000011094   -0.000006758    0.000005180
      3        1           0.000000439    0.000001446   -0.000001157
      4        1           0.000000208   -0.000000078    0.000002417
      5        6          -0.000001972   -0.000005787   -0.000005001
      6        6          -0.000002105    0.000037070    0.000004691
      7        1          -0.000000140    0.000000737    0.000001431
      8        1          -0.000000886    0.000000994    0.000000070
      9        1           0.000001112    0.000000549    0.000000635
     10        6           0.000014776   -0.000014667   -0.000003090
     11        6          -0.000019276   -0.000008097    0.000000300
     12        6           0.000001082    0.000019475    0.000002809
     13        6           0.000017413   -0.000013696   -0.000002984
     14        6          -0.000018375   -0.000015751   -0.000002376
     15        1          -0.000000477    0.000000594    0.000000408
     16        1           0.000000311    0.000000545    0.000000728
     17        1          -0.000000831   -0.000000636   -0.000000241
     18        1          -0.000001178    0.000001198   -0.000000073
     19        1           0.000002430    0.000000777    0.000001872
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037070 RMS     0.000008480
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129858D+03  0.116422D+01 -0.288642D+01
      2   0.116422D+01  0.106870D+03  0.276550D+01
      3  -0.288642D+01  0.276550D+01  0.688597D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.147467D+01 -0.378834D+01 -0.547135D+01
      2   0.130102D+02 -0.743819D+01  0.576561D+01
      3   0.111291D+02  0.394545D+02  0.710907D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.918897D+02 -0.818018D+01  0.107526D+02
      2   0.407152D+02  0.228405D+02 -0.511022D+01
      3   0.511745D+02 -0.146603D+02 -0.564235D+01
      4   0.224314D+02 -0.691817D+02 -0.178131D+02
      5   0.757981D+01 -0.179797D+02  0.145546D+02
      6  -0.647090D+01 -0.245263D+01  0.120560D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.442964D+01 -0.253606D+01  0.104180D+01 -0.524312D+01  0.355313D+01
      2  -0.253606D+01  0.212166D+01 -0.915465D+00  0.355313D+01 -0.456989D+01
      3   0.104180D+01 -0.915465D+00  0.156244D+01 -0.621768D+00  0.132223D+01
                 6             7             8             9            10 
      1  -0.621768D+00 -0.591438D+00 -0.655758D+00  0.110999D+01 -0.552770D+01
      2   0.132223D+01 -0.655758D+00  0.247983D+00 -0.933490D+00  0.109104D+01
      3  -0.398932D+00  0.110999D+01 -0.933490D+00 -0.532451D+01  0.114174D+01
                11            12            13            14            15 
      1   0.109104D+01  0.114174D+01  0.317739D+01 -0.472290D+01  0.178921D+00
      2  -0.238241D+01  0.377767D+00 -0.472290D+01  0.299957D+00 -0.788992D+00
      3   0.377767D+00 -0.101920D+01  0.178921D+00 -0.788992D+00  0.214808D+01
                16            17            18            19            20 
      1   0.280803D+01  0.200120D+00 -0.316329D+01 -0.102947D+01  0.209298D+00
      2   0.200120D+00 -0.104379D+01  0.291430D+01  0.209298D+00 -0.265095D+00
      3  -0.316329D+01  0.291430D+01  0.709297D+01  0.209174D+00  0.362068D+00
                21            22            23            24            25 
      1   0.209174D+00  0.586076D+00  0.177028D+00  0.873161D-01  0.255419D+01
      2   0.362068D+00  0.177028D+00 -0.591637D+00  0.617682D+00 -0.664139D+00
      3  -0.160259D+01  0.873161D-01  0.617682D+00  0.352489D+00  0.897998D+00
                26            27            28            29            30 
      1  -0.664139D+00  0.897998D+00  0.245242D+01 -0.430580D+00 -0.191724D+01
      2   0.183608D+01 -0.130336D+01 -0.430580D+00  0.710698D+00  0.305840D+00
      3  -0.130336D+01  0.729178D+01 -0.191724D+01  0.305840D+00  0.146879D+01
                31            32            33            34            35 
      1  -0.209423D+01  0.175792D+01  0.551430D+00 -0.517647D+01  0.720315D+00
      2   0.175792D+01 -0.125609D+01 -0.124523D+01  0.720315D+00 -0.158898D+01
      3   0.551430D+00 -0.124523D+01 -0.192947D+01  0.315250D+01 -0.196368D+01
                36            37            38            39            40 
      1   0.315250D+01 -0.719631D+01  0.217012D+01  0.864076D+00  0.452413D+01
      2  -0.196368D+01  0.217012D+01  0.279504D+01 -0.329169D+00  0.272301D+01
      3  -0.801144D+01  0.864076D+00 -0.329169D+00  0.151711D+01 -0.208067D+00
                41            42            43            44            45 
      1   0.272301D+01 -0.208067D+00  0.438302D+00  0.189837D+00  0.450093D+00
      2  -0.888103D+00  0.174688D+01  0.189837D+00  0.201287D+01 -0.399184D+01
      3   0.174688D+01 -0.405052D+01  0.450093D+00 -0.399184D+01 -0.374747D+01
                46            47            48            49            50 
      1   0.190779D+02 -0.239719D+01 -0.750751D+00 -0.228335D+01 -0.155789D+01
      2  -0.239719D+01  0.276130D+01 -0.673194D-01 -0.155789D+01 -0.234430D+00
      3  -0.750751D+00 -0.673194D-01  0.187915D+01 -0.437639D+00  0.148850D+00
                51            52            53            54            55 
      1  -0.437639D+00 -0.534466D+00 -0.332733D+00  0.399666D+01  0.204115D+00
      2   0.148850D+00 -0.332733D+00 -0.486875D-01 -0.403739D+00  0.403636D-01
      3  -0.487226D+00  0.399666D+01 -0.403739D+00 -0.140831D+01  0.675816D+00
                56            57            58            59            60 
      1   0.403636D-01  0.675816D+00  0.836670D-01  0.189359D+00  0.773367D-01
      2  -0.578319D+00 -0.106798D+00  0.189359D+00  0.188265D+01  0.118738D+01
      3  -0.106798D+00 -0.670587D+00  0.773367D-01  0.118738D+01  0.170155D+01
                61            62            63            64            65 
      1   0.205266D+01  0.775354D+00  0.621236D+00 -0.131657D+00  0.312117D+00
      2   0.775354D+00  0.208382D+01  0.236304D+01  0.312117D+00 -0.863222D+00
      3   0.621236D+00  0.236304D+01  0.611734D+01 -0.629543D+00  0.355705D+00
                66            67            68            69            70 
      1  -0.629543D+00  0.112856D+01  0.354511D+00 -0.653299D-01 -0.168261D+01
      2   0.355705D+00  0.354511D+00  0.530255D+01 -0.258248D+01 -0.551227D+00
      3  -0.616563D+00 -0.653299D-01 -0.258248D+01  0.259402D+01  0.115611D+00
                71            72            73            74            75 
      1  -0.551227D+00  0.115611D+00  0.122765D+02  0.407871D+00 -0.784838D+00
      2  -0.320391D+01  0.269540D+01  0.407871D+00  0.101901D+01 -0.110881D-01
      3   0.269540D+01 -0.296523D+01 -0.784838D+00 -0.110881D-01  0.108259D+01
                76            77            78            79            80 
      1  -0.196315D+01  0.832159D+00  0.696721D-01 -0.966378D+00 -0.794612D-01
      2   0.832159D+00 -0.307908D+00 -0.267522D+00 -0.794612D-01 -0.463872D+00
      3   0.696721D-01 -0.267522D+00  0.351575D-01  0.130229D+01  0.405462D+00
                81            82            83            84            85 
      1   0.130229D+01 -0.607021D+01 -0.814564D+00 -0.111565D+00  0.903593D+01
      2   0.405462D+00 -0.814564D+00  0.318405D+01  0.749458D+00  0.181329D-01
      3  -0.682300D-01 -0.111565D+00  0.749458D+00  0.121443D+01 -0.418487D-01
                86            87            88            89            90 
      1   0.181329D-01 -0.418487D-01  0.185045D+01 -0.199431D-01  0.174554D+01
      2   0.169779D+01 -0.602300D+00 -0.199431D-01 -0.962184D+00  0.364981D+01
      3  -0.602300D+00  0.191416D+01  0.174554D+01  0.364981D+01  0.398934D+00
                91            92            93            94            95 
      1   0.452046D+01 -0.678752D-01 -0.195635D+00  0.561480D+01  0.125440D+00
      2  -0.678752D-01 -0.245072D+01  0.285799D+00  0.125440D+00  0.880744D+00
      3  -0.195635D+00  0.285799D+00 -0.698064D+00  0.136063D+00 -0.586045D+00
                96            97            98            99           100 
      1   0.136063D+00  0.789584D-01  0.630363D+00 -0.221459D+01 -0.589054D+01
      2  -0.586045D+00  0.630363D+00 -0.574998D+00  0.380339D+01  0.207029D-01
      3   0.175823D+01 -0.221459D+01  0.380339D+01  0.160915D+01 -0.476573D+00
               101           102           103           104           105 
      1   0.207029D-01 -0.476573D+00  0.733706D+00  0.511884D+00  0.534191D+00
      2  -0.329531D+01 -0.112650D+00  0.511884D+00 -0.408931D+00 -0.261621D+00
      3  -0.112650D+00 -0.218158D+01  0.534191D+00 -0.261621D+00 -0.104301D+00
               106           107           108           109           110 
      1  -0.374160D+00  0.632019D+00 -0.552006D+01  0.333942D+01 -0.255977D+00
      2   0.632019D+00  0.252151D+00  0.111276D+00 -0.255977D+00 -0.272219D+01
      3  -0.552006D+01  0.111276D+00  0.973181D+00 -0.471608D+00 -0.679677D+00
               111           112           113           114           115 
      1  -0.471608D+00 -0.607729D+01  0.707445D+00  0.664995D+00 -0.145700D+01
      2  -0.679677D+00  0.707445D+00 -0.215365D+00  0.654426D+00  0.109337D+00
      3  -0.137618D+01  0.664995D+00  0.654426D+00 -0.176087D+01 -0.288499D+01
               116           117           118           119           120 
      1   0.109337D+00 -0.288499D+01 -0.506950D+01  0.198985D+01  0.122160D+00
      2   0.111839D+01 -0.353843D+01  0.198985D+01  0.291719D+01 -0.926245D-01
      3  -0.353843D+01 -0.274095D+00  0.122160D+00 -0.926245D-01  0.909774D+00
               121           122           123           124           125 
      1  -0.752345D+01  0.730228D+00 -0.297890D+00 -0.775435D-02 -0.490158D+00
      2   0.730228D+00 -0.149544D+01  0.575842D+00 -0.490158D+00  0.450808D-01
      3  -0.297890D+00  0.575842D+00 -0.166107D+01  0.928227D+00 -0.369470D+01
               126           127           128           129           130 
      1   0.928227D+00  0.317630D+01  0.225817D+01  0.186300D-01  0.232855D+01
      2  -0.369470D+01  0.225817D+01  0.236581D+01  0.430685D-01  0.275833D+01
      3  -0.168209D+01  0.186300D-01  0.430685D-01  0.149073D+00  0.132987D+00
               131           132           133           134           135 
      1   0.275833D+01  0.132987D+00 -0.252149D+00  0.124442D+00 -0.101251D+00
      2   0.675272D+01  0.348989D+00  0.124442D+00  0.470570D+00  0.100904D+00
      3   0.348989D+00  0.636535D+00 -0.101251D+00  0.100904D+00  0.318981D-01
               136           137           138           139           140 
      1  -0.296873D+01  0.307524D+01  0.540597D+00  0.277613D+01 -0.418800D+01
      2   0.307524D+01 -0.320392D+01 -0.552974D+00 -0.418800D+01  0.891161D+01
      3   0.540597D+00 -0.552974D+00 -0.493256D+00 -0.601450D+00  0.121957D+01
               141           142           143           144           145 
      1  -0.601450D+00  0.597975D+00 -0.755014D+00 -0.203916D+00 -0.134679D+02
      2   0.121957D+01 -0.755014D+00  0.134210D+01  0.303355D+00  0.423861D+00
      3   0.998964D+00 -0.203916D+00  0.303355D+00  0.176002D+00  0.114278D+01
               146           147           148           149           150 
      1   0.423861D+00  0.114278D+01  0.458384D+00 -0.164958D+01 -0.211152D+00
      2  -0.779875D+00 -0.188096D-01 -0.164958D+01  0.141713D+00  0.141875D+00
      3  -0.188096D-01 -0.101227D+01 -0.211152D+00  0.141875D+00  0.637033D-01
               151           152           153           154           155 
      1   0.129475D+01 -0.194931D+00 -0.191026D+00 -0.410549D+01 -0.366501D+01
      2  -0.194931D+00  0.770831D-01  0.350372D-01 -0.366501D+01 -0.367907D+01
      3  -0.191026D+00  0.350372D-01  0.159516D+00 -0.113937D+00 -0.894072D-01
               156           157           158           159           160 
      1  -0.113937D+00 -0.350624D+01 -0.466059D+01 -0.343030D+00 -0.173320D+00
      2  -0.894072D-01 -0.466059D+01 -0.798513D+01 -0.461747D+00 -0.185610D+00
      3  -0.494053D+00 -0.343030D+00 -0.461747D+00 -0.807438D+00 -0.768557D-01
               161           162           163           164           165 
      1  -0.185610D+00 -0.768557D-01  0.198081D+01 -0.183140D+01 -0.305080D+00
      2  -0.554573D+00 -0.238497D+00 -0.183140D+01  0.234539D+01  0.496276D+00
      3  -0.238497D+00 -0.104303D+00 -0.305080D+00  0.496276D+00  0.380994D+00
               166           167           168           169           170 
      1  -0.175650D+01  0.234038D+01  0.395262D+00 -0.459569D+00  0.547189D+00
      2   0.234038D+01 -0.791679D+01 -0.116778D+01  0.547189D+00 -0.104513D+01
      3   0.395262D+00 -0.116778D+01 -0.100306D+01  0.358253D-01 -0.314230D+00
               171 
      1   0.358253D-01
      2  -0.314230D+00
      3  -0.265094D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.158081D+01  0.112470D+01  0.319254D+01 -0.259361D+01  0.767131D+00
      2   0.105155D+01 -0.303388D+01  0.988419D+01  0.229421D+00  0.308964D+01
      3   0.213700D+01 -0.103248D+02  0.202935D+01 -0.156024D+01  0.983116D+01
                 6             7             8             9            10 
      1  -0.683468D+01 -0.470444D+00  0.130609D+01 -0.820685D+01 -0.490596D+00
      2  -0.176280D+01  0.376875D+01 -0.102712D+01 -0.119753D+02  0.182132D+01
      3  -0.233056D+01  0.180538D+01 -0.154364D+01  0.743639D+00 -0.254541D+01
                11            12            13            14            15 
      1   0.318681D+00 -0.111359D+00  0.325409D+01  0.174755D+01 -0.388372D+00
      2   0.523204D+00 -0.164630D+01 -0.830331D+00 -0.399263D+01  0.393978D+01
      3   0.208435D+01  0.188358D-01  0.159430D+02  0.331496D+00  0.217259D+01
                16            17            18            19            20 
      1   0.424659D+00  0.394617D+01 -0.154476D+01  0.372078D+00 -0.409572D+00
      2  -0.125115D+02  0.479101D+01  0.110728D+02  0.311706D+01  0.342818D+00
      3   0.495640D+00  0.397755D+01 -0.730049D+01  0.125384D+01  0.958501D+00
                21            22            23            24            25 
      1  -0.235357D+01 -0.197362D+00  0.143137D+01  0.268786D+00  0.767779D+00
      2  -0.367620D+01 -0.134596D+01  0.106300D+01  0.835448D+00 -0.259819D+01
      3  -0.106533D+01  0.106561D+01  0.702521D+00 -0.760751D+00 -0.301202D+00
                26            27            28            29            30 
      1   0.894097D+00  0.111654D+02 -0.224000D+00 -0.140619D+01  0.455442D-01
      2  -0.293405D+01  0.166815D+02 -0.222956D+01  0.601489D+00  0.304449D+01
      3  -0.299471D+01  0.365470D+01  0.596525D+00 -0.341567D+01 -0.379766D+00
                31            32            33            34            35 
      1  -0.190396D+01  0.101815D+01 -0.737274D+00  0.763649D-01  0.231741D+01
      2   0.306145D+00 -0.684662D+00 -0.355483D+01  0.139655D+01 -0.306098D+01
      3  -0.239106D+01  0.210572D+01  0.242075D+01 -0.425421D+00  0.273913D+01
                36            37            38            39            40 
      1  -0.239961D+00 -0.204746D+01 -0.391743D+00 -0.264711D+01 -0.101063D+01
      2  -0.133458D+02  0.317605D+01  0.877687D-01  0.633674D+01  0.791769D+00
      3   0.416143D+01 -0.178776D+02 -0.921398D+01  0.256735D+01 -0.153750D+01
                41            42            43            44            45 
      1  -0.429200D+01  0.333686D+01  0.111549D+01  0.755793D+01  0.404676D+01
      2   0.552939D+01 -0.107544D+02 -0.135555D+01 -0.111997D+02 -0.948966D+01
      3   0.754619D+01 -0.604772D+01  0.225680D+01 -0.562355D+01  0.144440D+02
                46            47            48            49            50 
      1   0.829019D+00  0.118975D+01  0.148854D+01  0.350067D+01 -0.174945D+01
      2  -0.194472D+01 -0.654489D+00 -0.593957D+00 -0.973794D+00 -0.421532D+00
      3   0.790300D+01  0.661573D+01  0.392391D-01  0.183150D+02  0.852885D+00
                51            52            53            54            55 
      1   0.123004D+01  0.300234D+00  0.108845D+02  0.121851D+01 -0.542373D+00
      2  -0.659416D+00 -0.138503D+02 -0.506510D+00 -0.191974D+00  0.292005D+01
      3  -0.288206D+00 -0.200062D+01 -0.310451D+01  0.379506D+00 -0.998483D+00
                56            57            58            59            60 
      1  -0.158799D+00  0.877053D+00 -0.160462D+00 -0.139903D+01 -0.410250D+01
      2  -0.145306D+00 -0.106456D+01 -0.475972D+00  0.304488D+01  0.501611D+01
      3   0.156863D+01  0.138693D+01  0.217185D+01 -0.512977D+01 -0.331410D+01
                61            62            63            64            65 
      1  -0.731060D+00 -0.805051D+00 -0.891596D+01  0.345540D+00 -0.152147D-01
      2  -0.162174D+01  0.608631D+01  0.161596D+02 -0.238832D+01  0.587644D+00
      3   0.139796D+01 -0.554782D+01 -0.729331D+01 -0.302082D+01  0.265992D+01
                66            67            68            69            70 
      1   0.132379D+01  0.229641D+00  0.167821D+01 -0.485161D+01  0.363888D+00
      2  -0.135139D+01  0.705778D+00 -0.627725D+01  0.634037D+01 -0.195406D+01
      3  -0.209684D+01  0.405048D+01 -0.149988D+02  0.766651D+01 -0.206159D+01
                71            72            73            74            75 
      1  -0.142371D+01  0.394562D+01  0.252938D+00 -0.319848D+00 -0.123194D+01
      2   0.606250D+01 -0.701873D+01 -0.545006D+00  0.232520D+00  0.551299D+01
      3   0.880554D+01 -0.803138D+01  0.139469D+02 -0.576694D+01 -0.104473D+01
                76            77            78            79            80 
      1  -0.191394D+00  0.388483D+00 -0.509696D+00 -0.110218D+01  0.527378D+00
      2   0.753815D-01 -0.543883D+00 -0.244145D+00  0.229792D+01  0.106503D+01
      3  -0.296043D+01  0.213020D+01  0.970585D+00 -0.114003D+01  0.144541D+01
                81            82            83            84            85 
      1  -0.167940D+00 -0.138295D+01  0.319195D+00 -0.219985D+01  0.101190D+01
      2   0.123713D+00 -0.253851D+01 -0.803989D-01 -0.119562D+01  0.285255D+01
      3  -0.318422D+00 -0.653372D+01 -0.108401D+01  0.134917D+01  0.452486D+01
                86            87            88            89            90 
      1   0.250796D+00 -0.207191D+01 -0.631104D+01  0.265944D+01  0.703028D+00
      2  -0.426767D+00 -0.739134D+00 -0.137575D+02 -0.326365D+00  0.671124D+00
      3   0.464783D+01 -0.761667D+00  0.183435D+01  0.462106D+00  0.550070D+01
                91            92            93            94            95 
      1   0.202503D+01 -0.802116D+00  0.140346D+01  0.180247D+00  0.456374D-01
      2   0.475025D+00  0.398666D+00  0.980706D+00  0.845693D+00  0.206016D+01
      3   0.420149D+01 -0.116103D+02 -0.115376D+01  0.617158D+01  0.113216D+01
                96            97            98            99           100 
      1  -0.222194D+01  0.567180D+01  0.142575D+01 -0.814465D+00 -0.120028D+00
      2  -0.429157D+01 -0.733810D+01 -0.103401D+02 -0.203257D+01 -0.396862D+00
      3  -0.140484D+01  0.100762D+00 -0.143940D+01  0.524174D+01 -0.829880D+00
               101           102           103           104           105 
      1   0.839016D+00  0.487945D+00  0.648654D-02 -0.184953D+01  0.139204D+01
      2   0.839571D-01  0.607988D+01 -0.225472D+01  0.153737D-01  0.574054D-01
      3  -0.671823D+01 -0.177161D+00  0.120322D+02 -0.324652D+01 -0.154540D+01
               106           107           108           109           110 
      1   0.130488D+01  0.120377D+02  0.116814D+01 -0.121728D+01 -0.468296D+00
      2   0.822457D+01 -0.577548D+00 -0.186341D+01  0.120933D+01  0.182006D+01
      3   0.186087D+01 -0.349945D+00 -0.708615D+00  0.125721D+01 -0.135641D+02
               111           112           113           114           115 
      1  -0.217201D+01  0.137172D+01  0.261370D+00 -0.179991D+01 -0.680823D+01
      2   0.208174D+01 -0.853169D+00 -0.172234D+01  0.416256D+01 -0.486532D+01
      3  -0.152906D+01  0.344054D+01  0.270619D+01  0.111399D+01  0.206435D+00
               116           117           118           119           120 
      1   0.279597D+01  0.158828D+01  0.261921D+00 -0.189957D+00  0.150181D+01
      2   0.104899D+02  0.173304D+01 -0.283985D+01  0.107972D+01 -0.940530D+00
      3   0.291967D+01 -0.436583D+01 -0.193739D+01 -0.202989D+01 -0.148222D+01
               121           122           123           124           125 
      1  -0.123286D+01 -0.462549D+00 -0.245944D+01  0.561789D+01  0.217347D+01
      2   0.541896D+00  0.616729D+00  0.175801D+01 -0.141371D+02  0.135696D+01
      3   0.581278D+00 -0.847661D+01 -0.984207D-01 -0.268216D+01  0.837878D+00
               126           127           128           129           130 
      1  -0.164160D+01  0.195476D+00  0.246812D+00 -0.136813D+01 -0.281959D+00
      2   0.201680D+01 -0.601316D+00 -0.131560D+00  0.206199D+00 -0.754195D-01
      3  -0.610855D+01  0.977421D+01  0.471824D+01 -0.636238D-01  0.808987D+01
               131           132           133           134           135 
      1  -0.294084D+00 -0.315162D+01  0.574968D+00  0.167002D+01 -0.116299D+00
      2  -0.440382D+00  0.838603D+00 -0.171406D+01 -0.401306D+00 -0.310011D-01
      3   0.702337D+01  0.450081D+00 -0.381891D+00  0.163899D+00 -0.981457D-01
               136           137           138           139           140 
      1  -0.251649D+00  0.152384D+00  0.190957D+01  0.133676D+00  0.173628D+00
      2  -0.505976D+00  0.730723D+00  0.196408D+01  0.568174D+00 -0.203683D+01
      3   0.943146D+00 -0.305464D+01 -0.414141D+00 -0.213833D+01  0.134763D+02
               141           142           143           144           145 
      1  -0.407150D+01 -0.532363D+00  0.163622D+01 -0.371939D+00 -0.149741D+00
      2  -0.319374D+01 -0.290158D+00  0.301029D+00 -0.423561D+00 -0.176971D+01
      3   0.174407D+01 -0.464242D+00  0.174777D+01  0.155983D+00 -0.406799D+00
               146           147           148           149           150 
      1  -0.347749D+00  0.263061D+00 -0.180236D+00 -0.142376D-01 -0.300936D+00
      2  -0.521167D-01  0.627847D+01  0.785770D+00 -0.289843D+00 -0.354899D+00
      3  -0.511729D+01  0.155996D+00 -0.416553D+01  0.328488D+00  0.358852D+00
               151           152           153           154           155 
      1  -0.551101D-01  0.427728D+00 -0.306348D-01  0.229416D+00  0.452310D+00
      2  -0.238517D+01 -0.380998D-01 -0.595800D+00 -0.445659D+00 -0.409011D+00
      3  -0.790927D+00  0.507813D+00  0.201943D+00 -0.127135D+01 -0.441388D+01
               156           157           158           159           160 
      1  -0.208630D+01 -0.132395D+00  0.169375D+00 -0.357054D+01  0.782470D+00
      2   0.233934D+01  0.193607D+00  0.358159D+00  0.314761D+01 -0.613481D+00
      3   0.167198D-01 -0.336765D+01 -0.125508D+02 -0.505152D+00 -0.298914D+00
               161           162           163           164           165 
      1   0.133860D+01 -0.165469D+00  0.333854D+00 -0.133363D+00  0.167693D+01
      2  -0.507641D+00  0.189431D+00  0.992121D+00 -0.599023D+00  0.189463D+00
      3  -0.131518D+01 -0.316829D+00 -0.717382D+01  0.427550D+01  0.457871D+00
               166           167           168           169           170 
      1  -0.360598D+00  0.746410D+00 -0.358552D+01 -0.408028D+00  0.206309D+01
      2  -0.108682D+01  0.105880D+01 -0.540962D+00 -0.162332D+01  0.185761D+00
      3   0.666216D+01 -0.783105D+01 -0.127800D+01  0.588794D+00 -0.168801D+01
               171 
      1  -0.234655D+00
      2  -0.242726D+00
      3   0.579017D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.177713D+02 -0.260316D+01 -0.126880D+01 -0.553917D+01 -0.235001D+01
      2  -0.797893D+01 -0.285977D+01 -0.274904D+01 -0.123135D+01  0.143684D+02
      3  -0.979237D+01  0.546293D+01  0.401785D+01  0.677052D+01 -0.120184D+02
      4  -0.170329D+02  0.210749D+02 -0.351242D+01  0.274786D+02 -0.268649D+02
      5   0.697286D+01 -0.417836D+01  0.139326D+02 -0.570294D+01  0.686863D+01
      6  -0.306040D+01  0.300140D+01 -0.556338D+01  0.509425D+01 -0.736194D+01
                 6             7             8             9            10 
      1   0.323402D+01  0.845444D+00 -0.442774D+00  0.111568D+02  0.113009D+02
      2  -0.260604D-02  0.129749D+01 -0.280142D+01  0.249988D+01 -0.631070D+01
      3  -0.323141D+01 -0.214293D+01  0.324419D+01 -0.136567D+02 -0.499024D+01
      4   0.706179D+01 -0.576331D+01  0.431958D+01 -0.889588D+01  0.599219D+01
      5  -0.431296D+01  0.129296D+02 -0.641078D+01 -0.172453D+02  0.473714D+01
      6   0.966279D+01 -0.525273D+01  0.593644D+01  0.772724D+01 -0.202548D+01
                11            12            13            14            15 
      1  -0.191654D+01  0.109039D+01 -0.508593D+01 -0.791187D+01  0.101383D+01
      2  -0.759761D+00 -0.204004D+01 -0.121579D+01 -0.104819D+01  0.143884D+01
      3   0.267630D+01  0.949657D+00  0.630171D+01  0.896007D+01 -0.245267D+01
      4  -0.203412D+02  0.718737D+00 -0.315596D+02  0.682342D+00 -0.458732D+01
      5   0.836983D+00 -0.104497D+02  0.368616D+01 -0.397331D+01  0.991918D+01
      6  -0.219965D+01  0.124281D+01 -0.275286D+01  0.202199D+01 -0.623931D+01
                16            17            18            19            20 
      1  -0.100083D+02  0.181401D+01 -0.371623D+00 -0.592299D+00 -0.210683D+01
      2  -0.707864D+01  0.669564D+01  0.114898D+02 -0.472575D+00  0.101687D+01
      3   0.170869D+02 -0.850966D+01 -0.111182D+02  0.106487D+01  0.108997D+01
      4   0.489689D+01 -0.886978D+01  0.155696D+02  0.475494D-01 -0.175394D+01
      5  -0.177774D+02  0.142580D+02  0.282252D+02  0.141096D+01  0.388716D+00
      6   0.823583D+01  0.104961D+00 -0.619961D+01 -0.148753D+00 -0.142263D+01
                21            22            23            24            25 
      1   0.621569D+01 -0.833522D-01 -0.267413D+01 -0.200236D+00  0.581125D+01
      2  -0.288591D+00 -0.903445D+00  0.222289D+01 -0.277996D+01 -0.347902D+01
      3  -0.592710D+01  0.986797D+00  0.451246D+00  0.298020D+01 -0.233223D+01
      4  -0.810246D+00  0.123842D+01 -0.152820D+01  0.211954D+01 -0.551665D+01
      5  -0.380247D+01  0.593631D-01  0.171036D+01  0.157640D+01  0.624948D+01
      6   0.339965D+01  0.515651D+00 -0.160940D+01  0.288290D+01 -0.155446D+01
                26            27            28            29            30 
      1   0.266146D+01 -0.148562D+02  0.539110D+01 -0.911638D+00 -0.437831D+01
      2  -0.117690D+01 -0.914749D+01 -0.655586D+01  0.126027D+01  0.493249D+01
      3  -0.148456D+01  0.240037D+02  0.116476D+01 -0.348627D+00 -0.554179D+00
      4   0.686307D+01 -0.295199D+01 -0.308002D+01  0.696787D+01  0.259350D+01
      5  -0.475776D+01  0.262341D+02 -0.106108D+02  0.253784D+01  0.125234D+02
      6   0.493886D+01 -0.149044D+02  0.271039D+01 -0.328570D+00 -0.136947D+01
                31            32            33            34            35 
      1  -0.210529D+00 -0.228559D+01 -0.259813D+01 -0.312184D+01 -0.331619D+01
      2   0.178274D+01 -0.543842D+00 -0.763279D+00  0.103477D+02 -0.220827D+01
      3  -0.157221D+01  0.282943D+01  0.336141D+01 -0.722583D+01  0.552446D+01
      4   0.103697D+02 -0.588198D+01 -0.586070D+01  0.402843D+01 -0.714646D+01
      5   0.357959D+01 -0.525468D+01 -0.828081D+01  0.198288D+02 -0.844708D+01
      6  -0.202099D+01  0.398621D+01  0.896619D+01 -0.507999D+01  0.567554D+01
                36            37            38            39            40 
      1  -0.104991D+02 -0.537715D+02  0.114848D+01  0.680271D+01  0.153955D+02
      2  -0.165930D+02  0.335872D+02  0.502481D+01 -0.453007D+01 -0.356427D+01
      3   0.270922D+02  0.201843D+02 -0.617329D+01 -0.227263D+01 -0.118312D+02
      4  -0.967944D+01  0.359513D+01  0.186147D+02 -0.103114D+00  0.203320D+02
      5  -0.336380D+02  0.755421D+01 -0.130088D+01  0.837999D+01 -0.124449D+01
      6   0.101976D+02  0.323955D+01 -0.107968D+01  0.593928D+01 -0.392961D+00
                41            42            43            44            45 
      1   0.176388D+02 -0.531785D+01  0.733298D+01 -0.355176D+01  0.171232D+02
      2  -0.752027D+01  0.666209D+01 -0.205574D+01  0.622407D+01 -0.119483D+02
      3  -0.101185D+02 -0.134424D+01 -0.527724D+01 -0.267231D+01 -0.517489D+01
      4   0.249355D+01  0.791555D+01  0.224905D+01  0.942647D+01 -0.163307D+02
      5   0.802084D+01 -0.179749D+02  0.292042D+01 -0.185504D+02 -0.184936D+02
      6   0.866750D+01 -0.116938D+02  0.591390D+00 -0.138145D+02 -0.659153D+01
                46            47            48            49            50 
      1  -0.222079D+02 -0.550898D+00 -0.110330D+01  0.291162D+01 -0.564740D+01
      2   0.729123D+01  0.650425D+00 -0.456091D+00  0.463292D+00  0.115582D+02
      3   0.149166D+02 -0.995269D-01  0.155939D+01 -0.337491D+01 -0.591075D+01
      4  -0.102863D+02  0.674063D+01 -0.320713D+00 -0.982101D+01  0.153312D+01
      5  -0.289028D+01 -0.301615D+00  0.351186D+01 -0.162483D+01  0.524195D+00
      6  -0.106314D+01 -0.468703D+00 -0.205865D+01  0.113865D+01  0.184328D+01
                51            52            53            54            55 
      1  -0.132053D-01  0.476477D+01  0.389433D+00 -0.985983D+01  0.352239D+01
      2   0.202718D+01 -0.202940D+01  0.446872D+00 -0.455877D+01 -0.269911D+01
      3  -0.201397D+01 -0.273537D+01 -0.836305D+00  0.144186D+02 -0.823283D+00
      4   0.925177D+00 -0.579208D+00  0.210914D+01 -0.127177D+01  0.488228D+00
      5  -0.190920D+01  0.369710D+01 -0.148711D+01  0.212830D+00  0.249309D+01
      6  -0.267665D+01  0.212565D+00  0.273804D+01 -0.160174D+01  0.234021D+01
                56            57            58            59            60 
      1   0.233674D+01  0.436056D+01  0.141896D+01 -0.699106D+01 -0.434597D+01
      2  -0.218753D+01 -0.133571D+01  0.928539D-01  0.722877D+01  0.437577D+01
      3  -0.149201D+00 -0.302485D+01 -0.151182D+01 -0.237703D+00 -0.297963D-01
      4  -0.141857D+01  0.179417D+01  0.311116D+01  0.857958D+01  0.545041D+01
      5   0.559444D+00  0.938207D-01  0.111620D+01  0.560544D+01  0.866586D+01
      6  -0.544110D+00 -0.168766D+01  0.859530D+00  0.580535D+01  0.106784D+02
                61            62            63            64            65 
      1   0.768915D+01 -0.402800D+01 -0.127889D+02  0.479196D+00  0.510624D+01
      2  -0.406512D+01  0.395110D+01  0.336171D-01  0.350496D+00 -0.436180D+01
      3  -0.362403D+01  0.768914D-01  0.127553D+02 -0.829691D+00 -0.744443D+00
      4   0.781774D+01  0.103661D+02  0.102349D+02  0.443520D+00 -0.810066D+00
      5   0.666085D+01  0.117337D+02  0.292619D+02 -0.224456D+01  0.107016D+00
      6   0.187931D+01  0.110571D+02  0.190519D+02 -0.269831D+01  0.209917D+01
                66            67            68            69            70 
      1  -0.507566D+01  0.458435D+01 -0.160870D+02  0.880720D+01 -0.615632D+01
      2   0.260200D+01 -0.188017D+01  0.224599D+02 -0.992404D+01  0.277454D+01
      3   0.247367D+01 -0.270417D+01 -0.637288D+01  0.111684D+01  0.338178D+01
      4  -0.110788D+01  0.665211D+01  0.236569D+02 -0.113489D+02 -0.653007D+01
      5  -0.958076D+00 -0.173972D+01 -0.117514D+02  0.121179D+02  0.350322D+01
      6  -0.296666D+01 -0.965086D+00 -0.138268D+02  0.127890D+02  0.843033D+00
                71            72            73            74            75 
      1   0.870433D+01 -0.119695D+02  0.865406D+02  0.769509D+00 -0.531960D+01
      2  -0.905209D+01  0.562724D+01 -0.466721D+02  0.157316D+01  0.346413D+01
      3   0.347755D+00  0.634225D+01 -0.398684D+02 -0.234267D+01  0.185547D+01
      4  -0.146507D+02  0.111934D+02  0.174929D+02  0.103287D+02 -0.110118D+01
      5   0.124522D+02 -0.127665D+02 -0.789254D+01 -0.149604D+00  0.103444D+02
      6   0.134586D+02 -0.131907D+02 -0.189288D+01 -0.361402D+00  0.245398D+01
                76            77            78            79            80 
      1  -0.131803D+02  0.559490D+01  0.120888D+01 -0.592477D+01  0.449179D+00
      2   0.909754D+01 -0.264255D+01 -0.130054D+01  0.393679D+01 -0.109983D+01
      3   0.408277D+01 -0.295235D+01  0.916655D-01  0.198798D+01  0.650653D+00
      4   0.744526D+01 -0.141501D+01 -0.143660D+01 -0.152927D+01 -0.250297D+01
      5   0.885240D+00 -0.165000D+01 -0.853248D+00  0.122625D+02  0.181165D+01
      6  -0.222090D+00 -0.643890D+00  0.166605D+01  0.183446D+01  0.248536D+01
                81            82            83            84            85 
      1   0.607393D+01  0.620087D+01 -0.142107D+02 -0.237044D+01  0.109464D+01
      2  -0.437075D+01 -0.527175D+01  0.105380D+02  0.130349D+01 -0.120404D+02
      3  -0.170317D+01 -0.929118D+00  0.367274D+01  0.106694D+01  0.109458D+02
      4   0.280216D+01 -0.744077D+01 -0.134942D+02  0.387195D+00  0.497571D+01
      5  -0.153387D+01 -0.119790D+01  0.678591D+00 -0.240072D+01  0.609278D+00
      6   0.258168D+00  0.273491D+01  0.150144D+01  0.502762D+01 -0.457667D+01
                86            87            88            89            90 
      1   0.288909D+01  0.136564D+01 -0.874211D+00  0.396023D+01 -0.146338D+02
      2  -0.737027D+01 -0.132159D+01 -0.837810D+00 -0.490437D+01  0.338979D+01
      3   0.448119D+01 -0.440473D-01  0.171202D+01  0.944139D+00  0.112440D+02
      4  -0.133091D+02 -0.148903D+01 -0.782044D+00  0.225113D+01 -0.292974D+01
      5  -0.154136D+01  0.723400D+00  0.314540D+01 -0.320634D+01  0.159866D+01
      6  -0.202006D+01  0.546963D+01  0.426856D+01  0.153899D+02 -0.111338D+01
                91            92            93            94            95 
      1   0.182151D+01  0.193463D+02  0.340003D+00 -0.257884D+02  0.988809D+01
      2  -0.387953D+01 -0.120749D+02 -0.262525D+00  0.239232D+02 -0.149870D+02
      3   0.205802D+01 -0.727137D+01 -0.774780D-01  0.186517D+01  0.509887D+01
      4   0.122367D+02 -0.503424D+01 -0.473497D+01  0.616868D+01  0.827479D+01
      5   0.300028D+01 -0.503558D+01  0.960123D+00 -0.300898D+00  0.367422D+01
      6  -0.493840D+01  0.300465D+01 -0.381141D+01  0.281426D+01 -0.622586D+01
                96            97            98            99           100 
      1   0.175494D+01 -0.960662D+00 -0.293474D+01 -0.424525D+01 -0.122649D+02
      2  -0.427602D+01  0.435117D+01 -0.290539D+01 -0.393204D+01  0.815312D+01
      3   0.252108D+01 -0.339051D+01  0.584013D+01  0.817729D+01  0.411177D+01
      4   0.368079D+01 -0.485662D+01  0.725652D+01 -0.165820D+02  0.181762D+01
      5  -0.906378D+01  0.134601D+02 -0.167336D+02 -0.471166D+01  0.758443D+01
      6   0.482947D+01 -0.756267D+01  0.147700D+02  0.277532D+01  0.708492D+00
               101           102           103           104           105 
      1   0.166954D+01  0.563234D+01 -0.215250D+01 -0.202134D+02 -0.359006D+01
      2  -0.128815D+01 -0.354123D+01  0.154267D+01  0.171733D+02  0.498803D+01
      3  -0.381393D+00 -0.209111D+01  0.609839D+00  0.304013D+01 -0.139798D+01
      4   0.229772D+02  0.803826D+00 -0.194192D+02  0.515739D+01  0.328204D+01
      5   0.754071D+00  0.138399D+02 -0.666058D+01  0.273928D+01  0.723464D-01
      6  -0.752336D+00 -0.102359D+01  0.308465D+01  0.161123D+01 -0.334122D+01
               106           107           108           109           110 
      1   0.907083D+01 -0.439992D+01  0.158203D+02  0.259827D+01 -0.208553D+02
      2  -0.354684D+01  0.363595D+01 -0.189785D+02 -0.532811D+01  0.117173D+02
      3  -0.552399D+01  0.763963D+00  0.315824D+01  0.272984D+01  0.913804D+01
      4  -0.715733D+01 -0.918508D+00 -0.800319D+00 -0.177742D+02  0.425919D+00
      5   0.365566D+02 -0.258651D+00 -0.431563D+01 -0.118909D+00  0.410538D+01
      6  -0.950208D+00  0.366089D+01 -0.204267D+01  0.259893D+01  0.261057D+01
               111           112           113           114           115 
      1  -0.306604D+01  0.256885D+02  0.625059D+01  0.975345D-01  0.527479D+01
      2   0.492020D+00 -0.243977D+02 -0.116916D+02 -0.974871D-01 -0.562748D+01
      3   0.257402D+01 -0.129081D+01  0.544097D+01 -0.473899D-04  0.352692D+00
      4   0.392506D+01  0.329429D+01 -0.146816D+02 -0.530040D+01  0.217366D+01
      5   0.431564D+01 -0.253549D+01 -0.482587D+01  0.899149D+01  0.175837D+02
      6   0.483676D+01 -0.418892D+01 -0.283760D+01  0.490056D+01  0.877525D+01
               116           117           118           119           120 
      1   0.521671D+01 -0.861951D-01  0.807781D+01  0.109629D+02 -0.176338D+00
      2  -0.573305D+01 -0.617768D+01 -0.600334D+01 -0.777841D+01  0.959615D+00
      3   0.516331D+00  0.626387D+01 -0.207448D+01 -0.318446D+01 -0.783276D+00
      4  -0.466805D+01  0.159206D+02  0.111979D+02 -0.169722D+02 -0.261649D+01
      5   0.165508D+02  0.400909D+01  0.113777D+00 -0.282814D+01 -0.337214D+01
      6   0.134815D+02 -0.184626D+01 -0.199163D+01  0.149575D+01 -0.311389D+01
               121           122           123           124           125 
      1  -0.217511D+01  0.718485D+01  0.368776D+01 -0.154472D+01 -0.338312D+00
      2   0.989250D+01 -0.117931D+02 -0.409792D+01  0.337741D+01 -0.398346D+01
      3  -0.771739D+01  0.460829D+01  0.410165D+00 -0.183269D+01  0.432177D+01
      4   0.101830D+02  0.136180D+02  0.165700D+01  0.150931D+01  0.367822D+01
      5   0.960936D+00  0.152907D+01  0.539710D+00 -0.300709D+00  0.489436D+01
      6   0.361167D+01 -0.624501D+01  0.471032D+01 -0.435533D+01  0.147138D+02
               126           127           128           129           130 
      1  -0.158771D+02 -0.262599D+01 -0.615119D+01 -0.658116D-01 -0.784451D+01
      2   0.248966D+01  0.561789D+01  0.929287D+01  0.235792D+00  0.115186D+02
      3   0.133875D+02 -0.299190D+01 -0.314168D+01 -0.169980D+00 -0.367414D+01
      4   0.511960D+01  0.860416D+01  0.764114D+01  0.350140D+00  0.726550D+01
      5   0.428781D+01  0.391016D+00  0.524812D+00  0.735446D+00  0.514781D+00
      6   0.488654D+01 -0.301568D+00 -0.106527D+00  0.133542D+01  0.619607D+00
               131           132           133           134           135 
      1  -0.241518D+02 -0.128718D+01 -0.878174D+00 -0.168539D+01 -0.975548D+00
      2   0.333876D+02  0.122190D+01  0.850151D+00  0.221260D+01  0.130477D+01
      3  -0.923576D+01  0.652825D-01  0.280231D-01 -0.527203D+00 -0.329218D+00
      4   0.642201D+01  0.287098D+00  0.341451D+00 -0.278947D+00  0.124665D+01
      5   0.931264D+00  0.742415D+00  0.443412D+00  0.817789D+00 -0.300077D-01
      6   0.138546D+01  0.483296D+01  0.586025D+00  0.164670D+01  0.526884D+00
               136           137           138           139           140 
      1   0.833166D+01 -0.688763D+01 -0.948452D+00 -0.817251D+00 -0.107853D+02
      2   0.269593D+01 -0.478556D+01 -0.129274D+00 -0.117820D+02  0.335902D+02
      3  -0.110276D+02  0.116732D+02  0.107773D+01  0.125993D+02 -0.228049D+02
      4  -0.234956D+02  0.267292D+02  0.410102D+01  0.284486D+02 -0.499278D+02
      5  -0.346235D+01  0.367001D+01  0.459837D+01  0.353942D+01 -0.564917D+01
      6   0.269538D+01 -0.304692D+01 -0.286664D+01 -0.372988D+01  0.787226D+01
               141           142           143           144           145 
      1  -0.163660D+01 -0.729683D+00 -0.745466D+00 -0.121541D+01  0.102325D+03
      2   0.320181D+01 -0.128467D+01  0.357800D+01  0.199267D+01 -0.590048D+02
      3  -0.156521D+01  0.201435D+01 -0.283253D+01 -0.777257D+00 -0.433200D+02
      4  -0.655885D+01  0.520698D+01 -0.768656D+01 -0.301070D+01 -0.604766D+01
      5  -0.528272D+01  0.187007D+01 -0.233527D+01 -0.138971D+01 -0.102904D+02
      6   0.732553D+01 -0.194762D+01  0.380695D+01  0.189017D+01 -0.116424D+01
               146           147           148           149           150 
      1  -0.293076D+01 -0.728411D+01 -0.262172D+01  0.982617D+01  0.896739D+00
      2   0.142769D+01  0.500709D+01  0.111696D+01 -0.506976D+01 -0.755269D+00
      3   0.150307D+01  0.227702D+01  0.150476D+01 -0.475641D+01 -0.141470D+00
      4   0.844611D+01  0.294348D+00  0.155480D+02 -0.154542D+01 -0.125956D+01
      5   0.132331D+00  0.107173D+02  0.165859D+01 -0.115698D+01 -0.545707D+00
      6  -0.486089D+00 -0.185264D+00 -0.931140D+00 -0.139383D+00  0.156940D+01
               151           152           153           154           155 
      1  -0.932742D+01  0.991011D+00  0.392137D+01  0.157054D+02  0.111134D+02
      2   0.565641D+01 -0.697643D+00 -0.259618D+01 -0.535795D+00  0.308130D+01
      3   0.367101D+01 -0.293368D+00 -0.132519D+01 -0.151696D+02 -0.141947D+02
      4   0.197772D+01 -0.987111D+00 -0.514842D+00  0.294787D+02  0.301219D+02
      5   0.417712D+01 -0.343682D+00 -0.211567D+01  0.193697D+01  0.144110D+01
      6  -0.131708D+00  0.805308D+00  0.249850D+00  0.376261D+00  0.218864D+00
               156           157           158           159           160 
      1   0.662201D+00  0.539755D+01 -0.170938D+01  0.946518D-01 -0.736492D+00
      2  -0.195508D+00  0.953760D+01  0.241505D+02  0.492448D+00  0.103693D+01
      3  -0.466693D+00 -0.149352D+02 -0.224411D+02 -0.587100D+00 -0.300437D+00
      4   0.100671D+01  0.327836D+02  0.487128D+02  0.279876D+01  0.130002D+01
      5   0.480630D+01  0.286271D+01  0.370509D+01  0.508154D+01  0.173791D+01
      6   0.279226D+01  0.157040D+01  0.228501D+01  0.583093D+01  0.157469D+01
               161           162           163           164           165 
      1  -0.866072D+00 -0.659788D+00 -0.545872D+01  0.822401D+01  0.210441D+01
      2   0.171755D+01  0.133604D+01  0.644443D+01 -0.102629D+02 -0.154425D+01
      3  -0.851478D+00 -0.676256D+00 -0.985705D+00  0.203891D+01 -0.560161D+00
      4   0.265072D+01  0.270177D+01 -0.507297D+01  0.662669D+01  0.109781D+01
      5   0.183973D+01  0.484810D+00 -0.373447D+00  0.823392D+00  0.108369D+01
      6   0.279354D+01  0.755635D+00  0.188067D+01 -0.313523D+01 -0.238117D+01
               166           167           168           169           170 
      1   0.823150D+01 -0.297125D+02 -0.501564D+01  0.139763D+01 -0.372142D+01
      2  -0.104006D+02  0.390209D+02  0.459799D+01 -0.169955D+01  0.425696D+01
      3   0.216906D+01 -0.930844D+01  0.417642D+00  0.301918D+00 -0.535534D+00
      4   0.536378D+01 -0.281218D+01 -0.223211D+00  0.121326D+01 -0.121189D+01
      5   0.336674D+00  0.494364D+00 -0.206949D+00  0.910315D+00 -0.663383D+00
      6  -0.241450D+01  0.819716D+01  0.669669D+01 -0.802157D+00  0.322151D+01
               171 
      1  -0.196372D+01
      2   0.223275D+01
      3  -0.269034D+00
      4  -0.182129D+01
      5  -0.960889D+00
      6   0.193638D+01
 Leave Link  716 at Thu Aug 12 20:52:42 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.129858D+03  0.116422D+01 -0.288642D+01
      2   0.116422D+01  0.106870D+03  0.276550D+01
      3  -0.288642D+01  0.276550D+01  0.688597D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.147467D+01 -0.378834D+01 -0.547135D+01
      2   0.130102D+02 -0.743819D+01  0.576561D+01
      3   0.111291D+02  0.394545D+02  0.710907D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.918897D+02 -0.818018D+01  0.107526D+02
      2   0.407152D+02  0.228405D+02 -0.511022D+01
      3   0.511745D+02 -0.146603D+02 -0.564235D+01
      4   0.224314D+02 -0.691817D+02 -0.178131D+02
      5   0.757981D+01 -0.179797D+02  0.145546D+02
      6  -0.647090D+01 -0.245263D+01  0.120560D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.442964D+01 -0.253606D+01  0.104180D+01 -0.524312D+01  0.355313D+01
      2  -0.253606D+01  0.212166D+01 -0.915465D+00  0.355313D+01 -0.456989D+01
      3   0.104180D+01 -0.915465D+00  0.156244D+01 -0.621768D+00  0.132223D+01
                 6             7             8             9            10 
      1  -0.621768D+00 -0.591438D+00 -0.655758D+00  0.110999D+01 -0.552770D+01
      2   0.132223D+01 -0.655758D+00  0.247983D+00 -0.933490D+00  0.109104D+01
      3  -0.398932D+00  0.110999D+01 -0.933490D+00 -0.532451D+01  0.114174D+01
                11            12            13            14            15 
      1   0.109104D+01  0.114174D+01  0.317739D+01 -0.472290D+01  0.178921D+00
      2  -0.238241D+01  0.377767D+00 -0.472290D+01  0.299957D+00 -0.788992D+00
      3   0.377767D+00 -0.101920D+01  0.178921D+00 -0.788992D+00  0.214808D+01
                16            17            18            19            20 
      1   0.280803D+01  0.200120D+00 -0.316329D+01 -0.102947D+01  0.209298D+00
      2   0.200120D+00 -0.104379D+01  0.291430D+01  0.209298D+00 -0.265095D+00
      3  -0.316329D+01  0.291430D+01  0.709297D+01  0.209174D+00  0.362068D+00
                21            22            23            24            25 
      1   0.209174D+00  0.586076D+00  0.177028D+00  0.873161D-01  0.255419D+01
      2   0.362068D+00  0.177028D+00 -0.591637D+00  0.617682D+00 -0.664139D+00
      3  -0.160259D+01  0.873161D-01  0.617682D+00  0.352489D+00  0.897998D+00
                26            27            28            29            30 
      1  -0.664139D+00  0.897998D+00  0.245242D+01 -0.430580D+00 -0.191724D+01
      2   0.183608D+01 -0.130336D+01 -0.430580D+00  0.710698D+00  0.305840D+00
      3  -0.130336D+01  0.729178D+01 -0.191724D+01  0.305840D+00  0.146879D+01
                31            32            33            34            35 
      1  -0.209423D+01  0.175792D+01  0.551430D+00 -0.517647D+01  0.720315D+00
      2   0.175792D+01 -0.125609D+01 -0.124523D+01  0.720315D+00 -0.158898D+01
      3   0.551430D+00 -0.124523D+01 -0.192947D+01  0.315250D+01 -0.196368D+01
                36            37            38            39            40 
      1   0.315250D+01 -0.719631D+01  0.217012D+01  0.864076D+00  0.452413D+01
      2  -0.196368D+01  0.217012D+01  0.279504D+01 -0.329169D+00  0.272301D+01
      3  -0.801144D+01  0.864076D+00 -0.329169D+00  0.151711D+01 -0.208067D+00
                41            42            43            44            45 
      1   0.272301D+01 -0.208067D+00  0.438302D+00  0.189837D+00  0.450093D+00
      2  -0.888103D+00  0.174688D+01  0.189837D+00  0.201287D+01 -0.399184D+01
      3   0.174688D+01 -0.405052D+01  0.450093D+00 -0.399184D+01 -0.374747D+01
                46            47            48            49            50 
      1   0.190779D+02 -0.239719D+01 -0.750751D+00 -0.228335D+01 -0.155789D+01
      2  -0.239719D+01  0.276130D+01 -0.673194D-01 -0.155789D+01 -0.234430D+00
      3  -0.750751D+00 -0.673194D-01  0.187915D+01 -0.437639D+00  0.148850D+00
                51            52            53            54            55 
      1  -0.437639D+00 -0.534466D+00 -0.332733D+00  0.399666D+01  0.204115D+00
      2   0.148850D+00 -0.332733D+00 -0.486875D-01 -0.403739D+00  0.403636D-01
      3  -0.487226D+00  0.399666D+01 -0.403739D+00 -0.140831D+01  0.675816D+00
                56            57            58            59            60 
      1   0.403636D-01  0.675816D+00  0.836670D-01  0.189359D+00  0.773367D-01
      2  -0.578319D+00 -0.106798D+00  0.189359D+00  0.188265D+01  0.118738D+01
      3  -0.106798D+00 -0.670587D+00  0.773367D-01  0.118738D+01  0.170155D+01
                61            62            63            64            65 
      1   0.205266D+01  0.775354D+00  0.621236D+00 -0.131657D+00  0.312117D+00
      2   0.775354D+00  0.208382D+01  0.236304D+01  0.312117D+00 -0.863222D+00
      3   0.621236D+00  0.236304D+01  0.611734D+01 -0.629543D+00  0.355705D+00
                66            67            68            69            70 
      1  -0.629543D+00  0.112856D+01  0.354511D+00 -0.653299D-01 -0.168261D+01
      2   0.355705D+00  0.354511D+00  0.530255D+01 -0.258248D+01 -0.551227D+00
      3  -0.616563D+00 -0.653299D-01 -0.258248D+01  0.259402D+01  0.115611D+00
                71            72            73            74            75 
      1  -0.551227D+00  0.115611D+00  0.122765D+02  0.407871D+00 -0.784838D+00
      2  -0.320391D+01  0.269540D+01  0.407871D+00  0.101901D+01 -0.110881D-01
      3   0.269540D+01 -0.296523D+01 -0.784838D+00 -0.110881D-01  0.108259D+01
                76            77            78            79            80 
      1  -0.196315D+01  0.832159D+00  0.696721D-01 -0.966378D+00 -0.794612D-01
      2   0.832159D+00 -0.307908D+00 -0.267522D+00 -0.794612D-01 -0.463872D+00
      3   0.696721D-01 -0.267522D+00  0.351575D-01  0.130229D+01  0.405462D+00
                81            82            83            84            85 
      1   0.130229D+01 -0.607021D+01 -0.814564D+00 -0.111565D+00  0.903593D+01
      2   0.405462D+00 -0.814564D+00  0.318405D+01  0.749458D+00  0.181329D-01
      3  -0.682300D-01 -0.111565D+00  0.749458D+00  0.121443D+01 -0.418487D-01
                86            87            88            89            90 
      1   0.181329D-01 -0.418487D-01  0.185045D+01 -0.199431D-01  0.174554D+01
      2   0.169779D+01 -0.602300D+00 -0.199431D-01 -0.962184D+00  0.364981D+01
      3  -0.602300D+00  0.191416D+01  0.174554D+01  0.364981D+01  0.398934D+00
                91            92            93            94            95 
      1   0.452046D+01 -0.678752D-01 -0.195635D+00  0.561480D+01  0.125440D+00
      2  -0.678752D-01 -0.245072D+01  0.285799D+00  0.125440D+00  0.880744D+00
      3  -0.195635D+00  0.285799D+00 -0.698064D+00  0.136063D+00 -0.586045D+00
                96            97            98            99           100 
      1   0.136063D+00  0.789584D-01  0.630363D+00 -0.221459D+01 -0.589054D+01
      2  -0.586045D+00  0.630363D+00 -0.574998D+00  0.380339D+01  0.207029D-01
      3   0.175823D+01 -0.221459D+01  0.380339D+01  0.160915D+01 -0.476573D+00
               101           102           103           104           105 
      1   0.207029D-01 -0.476573D+00  0.733706D+00  0.511884D+00  0.534191D+00
      2  -0.329531D+01 -0.112650D+00  0.511884D+00 -0.408931D+00 -0.261621D+00
      3  -0.112650D+00 -0.218158D+01  0.534191D+00 -0.261621D+00 -0.104301D+00
               106           107           108           109           110 
      1  -0.374160D+00  0.632019D+00 -0.552006D+01  0.333942D+01 -0.255977D+00
      2   0.632019D+00  0.252151D+00  0.111276D+00 -0.255977D+00 -0.272219D+01
      3  -0.552006D+01  0.111276D+00  0.973181D+00 -0.471608D+00 -0.679677D+00
               111           112           113           114           115 
      1  -0.471608D+00 -0.607729D+01  0.707445D+00  0.664995D+00 -0.145700D+01
      2  -0.679677D+00  0.707445D+00 -0.215365D+00  0.654426D+00  0.109337D+00
      3  -0.137618D+01  0.664995D+00  0.654426D+00 -0.176087D+01 -0.288499D+01
               116           117           118           119           120 
      1   0.109337D+00 -0.288499D+01 -0.506950D+01  0.198985D+01  0.122160D+00
      2   0.111839D+01 -0.353843D+01  0.198985D+01  0.291719D+01 -0.926245D-01
      3  -0.353843D+01 -0.274095D+00  0.122160D+00 -0.926245D-01  0.909774D+00
               121           122           123           124           125 
      1  -0.752345D+01  0.730228D+00 -0.297890D+00 -0.775435D-02 -0.490158D+00
      2   0.730228D+00 -0.149544D+01  0.575842D+00 -0.490158D+00  0.450808D-01
      3  -0.297890D+00  0.575842D+00 -0.166107D+01  0.928227D+00 -0.369470D+01
               126           127           128           129           130 
      1   0.928227D+00  0.317630D+01  0.225817D+01  0.186300D-01  0.232855D+01
      2  -0.369470D+01  0.225817D+01  0.236581D+01  0.430685D-01  0.275833D+01
      3  -0.168209D+01  0.186300D-01  0.430685D-01  0.149073D+00  0.132987D+00
               131           132           133           134           135 
      1   0.275833D+01  0.132987D+00 -0.252149D+00  0.124442D+00 -0.101251D+00
      2   0.675272D+01  0.348989D+00  0.124442D+00  0.470570D+00  0.100904D+00
      3   0.348989D+00  0.636535D+00 -0.101251D+00  0.100904D+00  0.318981D-01
               136           137           138           139           140 
      1  -0.296873D+01  0.307524D+01  0.540597D+00  0.277613D+01 -0.418800D+01
      2   0.307524D+01 -0.320392D+01 -0.552974D+00 -0.418800D+01  0.891161D+01
      3   0.540597D+00 -0.552974D+00 -0.493256D+00 -0.601450D+00  0.121957D+01
               141           142           143           144           145 
      1  -0.601450D+00  0.597975D+00 -0.755014D+00 -0.203916D+00 -0.134679D+02
      2   0.121957D+01 -0.755014D+00  0.134210D+01  0.303355D+00  0.423861D+00
      3   0.998964D+00 -0.203916D+00  0.303355D+00  0.176002D+00  0.114278D+01
               146           147           148           149           150 
      1   0.423861D+00  0.114278D+01  0.458384D+00 -0.164958D+01 -0.211152D+00
      2  -0.779875D+00 -0.188096D-01 -0.164958D+01  0.141713D+00  0.141875D+00
      3  -0.188096D-01 -0.101227D+01 -0.211152D+00  0.141875D+00  0.637033D-01
               151           152           153           154           155 
      1   0.129475D+01 -0.194931D+00 -0.191026D+00 -0.410549D+01 -0.366501D+01
      2  -0.194931D+00  0.770831D-01  0.350372D-01 -0.366501D+01 -0.367907D+01
      3  -0.191026D+00  0.350372D-01  0.159516D+00 -0.113937D+00 -0.894072D-01
               156           157           158           159           160 
      1  -0.113937D+00 -0.350624D+01 -0.466059D+01 -0.343030D+00 -0.173320D+00
      2  -0.894072D-01 -0.466059D+01 -0.798513D+01 -0.461747D+00 -0.185610D+00
      3  -0.494053D+00 -0.343030D+00 -0.461747D+00 -0.807438D+00 -0.768557D-01
               161           162           163           164           165 
      1  -0.185610D+00 -0.768557D-01  0.198081D+01 -0.183140D+01 -0.305080D+00
      2  -0.554573D+00 -0.238497D+00 -0.183140D+01  0.234539D+01  0.496276D+00
      3  -0.238497D+00 -0.104303D+00 -0.305080D+00  0.496276D+00  0.380994D+00
               166           167           168           169           170 
      1  -0.175650D+01  0.234038D+01  0.395262D+00 -0.459569D+00  0.547189D+00
      2   0.234038D+01 -0.791679D+01 -0.116778D+01  0.547189D+00 -0.104513D+01
      3   0.395262D+00 -0.116778D+01 -0.100306D+01  0.358253D-01 -0.314230D+00
               171 
      1   0.358253D-01
      2  -0.314230D+00
      3  -0.265094D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.158081D+01  0.112470D+01  0.319254D+01 -0.259361D+01  0.767131D+00
      2   0.105155D+01 -0.303388D+01  0.988419D+01  0.229421D+00  0.308964D+01
      3   0.213700D+01 -0.103248D+02  0.202935D+01 -0.156024D+01  0.983116D+01
                 6             7             8             9            10 
      1  -0.683468D+01 -0.470444D+00  0.130609D+01 -0.820685D+01 -0.490596D+00
      2  -0.176280D+01  0.376875D+01 -0.102712D+01 -0.119753D+02  0.182132D+01
      3  -0.233056D+01  0.180538D+01 -0.154364D+01  0.743639D+00 -0.254541D+01
                11            12            13            14            15 
      1   0.318681D+00 -0.111359D+00  0.325409D+01  0.174755D+01 -0.388372D+00
      2   0.523204D+00 -0.164630D+01 -0.830331D+00 -0.399263D+01  0.393978D+01
      3   0.208435D+01  0.188358D-01  0.159430D+02  0.331496D+00  0.217259D+01
                16            17            18            19            20 
      1   0.424659D+00  0.394617D+01 -0.154476D+01  0.372078D+00 -0.409572D+00
      2  -0.125115D+02  0.479101D+01  0.110728D+02  0.311706D+01  0.342818D+00
      3   0.495640D+00  0.397755D+01 -0.730049D+01  0.125384D+01  0.958501D+00
                21            22            23            24            25 
      1  -0.235357D+01 -0.197362D+00  0.143137D+01  0.268786D+00  0.767779D+00
      2  -0.367620D+01 -0.134596D+01  0.106300D+01  0.835448D+00 -0.259819D+01
      3  -0.106533D+01  0.106561D+01  0.702521D+00 -0.760751D+00 -0.301202D+00
                26            27            28            29            30 
      1   0.894097D+00  0.111654D+02 -0.224000D+00 -0.140619D+01  0.455442D-01
      2  -0.293405D+01  0.166815D+02 -0.222956D+01  0.601489D+00  0.304449D+01
      3  -0.299471D+01  0.365470D+01  0.596525D+00 -0.341567D+01 -0.379766D+00
                31            32            33            34            35 
      1  -0.190396D+01  0.101815D+01 -0.737274D+00  0.763649D-01  0.231741D+01
      2   0.306145D+00 -0.684662D+00 -0.355483D+01  0.139655D+01 -0.306098D+01
      3  -0.239106D+01  0.210572D+01  0.242075D+01 -0.425421D+00  0.273913D+01
                36            37            38            39            40 
      1  -0.239961D+00 -0.204746D+01 -0.391743D+00 -0.264711D+01 -0.101063D+01
      2  -0.133458D+02  0.317605D+01  0.877687D-01  0.633674D+01  0.791769D+00
      3   0.416143D+01 -0.178776D+02 -0.921398D+01  0.256735D+01 -0.153750D+01
                41            42            43            44            45 
      1  -0.429200D+01  0.333686D+01  0.111549D+01  0.755793D+01  0.404676D+01
      2   0.552939D+01 -0.107544D+02 -0.135555D+01 -0.111997D+02 -0.948966D+01
      3   0.754619D+01 -0.604772D+01  0.225680D+01 -0.562355D+01  0.144440D+02
                46            47            48            49            50 
      1   0.829019D+00  0.118975D+01  0.148854D+01  0.350067D+01 -0.174945D+01
      2  -0.194472D+01 -0.654489D+00 -0.593957D+00 -0.973794D+00 -0.421532D+00
      3   0.790300D+01  0.661573D+01  0.392391D-01  0.183150D+02  0.852885D+00
                51            52            53            54            55 
      1   0.123004D+01  0.300234D+00  0.108845D+02  0.121851D+01 -0.542373D+00
      2  -0.659416D+00 -0.138503D+02 -0.506510D+00 -0.191974D+00  0.292005D+01
      3  -0.288206D+00 -0.200062D+01 -0.310451D+01  0.379506D+00 -0.998483D+00
                56            57            58            59            60 
      1  -0.158799D+00  0.877053D+00 -0.160462D+00 -0.139903D+01 -0.410250D+01
      2  -0.145306D+00 -0.106456D+01 -0.475972D+00  0.304488D+01  0.501611D+01
      3   0.156863D+01  0.138693D+01  0.217185D+01 -0.512977D+01 -0.331410D+01
                61            62            63            64            65 
      1  -0.731060D+00 -0.805051D+00 -0.891596D+01  0.345540D+00 -0.152147D-01
      2  -0.162174D+01  0.608631D+01  0.161596D+02 -0.238832D+01  0.587644D+00
      3   0.139796D+01 -0.554782D+01 -0.729331D+01 -0.302082D+01  0.265992D+01
                66            67            68            69            70 
      1   0.132379D+01  0.229641D+00  0.167821D+01 -0.485161D+01  0.363888D+00
      2  -0.135139D+01  0.705778D+00 -0.627725D+01  0.634037D+01 -0.195406D+01
      3  -0.209684D+01  0.405048D+01 -0.149988D+02  0.766651D+01 -0.206159D+01
                71            72            73            74            75 
      1  -0.142371D+01  0.394562D+01  0.252938D+00 -0.319848D+00 -0.123194D+01
      2   0.606250D+01 -0.701873D+01 -0.545006D+00  0.232520D+00  0.551299D+01
      3   0.880554D+01 -0.803138D+01  0.139469D+02 -0.576694D+01 -0.104473D+01
                76            77            78            79            80 
      1  -0.191394D+00  0.388483D+00 -0.509696D+00 -0.110218D+01  0.527378D+00
      2   0.753815D-01 -0.543883D+00 -0.244145D+00  0.229792D+01  0.106503D+01
      3  -0.296043D+01  0.213020D+01  0.970585D+00 -0.114003D+01  0.144541D+01
                81            82            83            84            85 
      1  -0.167940D+00 -0.138295D+01  0.319195D+00 -0.219985D+01  0.101190D+01
      2   0.123713D+00 -0.253851D+01 -0.803989D-01 -0.119562D+01  0.285255D+01
      3  -0.318422D+00 -0.653372D+01 -0.108401D+01  0.134917D+01  0.452486D+01
                86            87            88            89            90 
      1   0.250796D+00 -0.207191D+01 -0.631104D+01  0.265944D+01  0.703028D+00
      2  -0.426767D+00 -0.739134D+00 -0.137575D+02 -0.326365D+00  0.671124D+00
      3   0.464783D+01 -0.761667D+00  0.183435D+01  0.462106D+00  0.550070D+01
                91            92            93            94            95 
      1   0.202503D+01 -0.802116D+00  0.140346D+01  0.180247D+00  0.456374D-01
      2   0.475025D+00  0.398666D+00  0.980706D+00  0.845693D+00  0.206016D+01
      3   0.420149D+01 -0.116103D+02 -0.115376D+01  0.617158D+01  0.113216D+01
                96            97            98            99           100 
      1  -0.222194D+01  0.567180D+01  0.142575D+01 -0.814465D+00 -0.120028D+00
      2  -0.429157D+01 -0.733810D+01 -0.103401D+02 -0.203257D+01 -0.396862D+00
      3  -0.140484D+01  0.100762D+00 -0.143940D+01  0.524174D+01 -0.829880D+00
               101           102           103           104           105 
      1   0.839016D+00  0.487945D+00  0.648654D-02 -0.184953D+01  0.139204D+01
      2   0.839571D-01  0.607988D+01 -0.225472D+01  0.153737D-01  0.574054D-01
      3  -0.671823D+01 -0.177161D+00  0.120322D+02 -0.324652D+01 -0.154540D+01
               106           107           108           109           110 
      1   0.130488D+01  0.120377D+02  0.116814D+01 -0.121728D+01 -0.468296D+00
      2   0.822457D+01 -0.577548D+00 -0.186341D+01  0.120933D+01  0.182006D+01
      3   0.186087D+01 -0.349945D+00 -0.708615D+00  0.125721D+01 -0.135641D+02
               111           112           113           114           115 
      1  -0.217201D+01  0.137172D+01  0.261370D+00 -0.179991D+01 -0.680823D+01
      2   0.208174D+01 -0.853169D+00 -0.172234D+01  0.416256D+01 -0.486532D+01
      3  -0.152906D+01  0.344054D+01  0.270619D+01  0.111399D+01  0.206435D+00
               116           117           118           119           120 
      1   0.279597D+01  0.158828D+01  0.261921D+00 -0.189957D+00  0.150181D+01
      2   0.104899D+02  0.173304D+01 -0.283985D+01  0.107972D+01 -0.940530D+00
      3   0.291967D+01 -0.436583D+01 -0.193739D+01 -0.202989D+01 -0.148222D+01
               121           122           123           124           125 
      1  -0.123286D+01 -0.462549D+00 -0.245944D+01  0.561789D+01  0.217347D+01
      2   0.541896D+00  0.616729D+00  0.175801D+01 -0.141371D+02  0.135696D+01
      3   0.581278D+00 -0.847661D+01 -0.984207D-01 -0.268216D+01  0.837878D+00
               126           127           128           129           130 
      1  -0.164160D+01  0.195476D+00  0.246812D+00 -0.136813D+01 -0.281959D+00
      2   0.201680D+01 -0.601316D+00 -0.131560D+00  0.206199D+00 -0.754195D-01
      3  -0.610855D+01  0.977421D+01  0.471824D+01 -0.636238D-01  0.808987D+01
               131           132           133           134           135 
      1  -0.294084D+00 -0.315162D+01  0.574968D+00  0.167002D+01 -0.116299D+00
      2  -0.440382D+00  0.838603D+00 -0.171406D+01 -0.401306D+00 -0.310011D-01
      3   0.702337D+01  0.450081D+00 -0.381891D+00  0.163899D+00 -0.981457D-01
               136           137           138           139           140 
      1  -0.251649D+00  0.152384D+00  0.190957D+01  0.133676D+00  0.173628D+00
      2  -0.505976D+00  0.730723D+00  0.196408D+01  0.568174D+00 -0.203683D+01
      3   0.943146D+00 -0.305464D+01 -0.414141D+00 -0.213833D+01  0.134763D+02
               141           142           143           144           145 
      1  -0.407150D+01 -0.532363D+00  0.163622D+01 -0.371939D+00 -0.149741D+00
      2  -0.319374D+01 -0.290158D+00  0.301029D+00 -0.423561D+00 -0.176971D+01
      3   0.174407D+01 -0.464242D+00  0.174777D+01  0.155983D+00 -0.406799D+00
               146           147           148           149           150 
      1  -0.347749D+00  0.263061D+00 -0.180236D+00 -0.142376D-01 -0.300936D+00
      2  -0.521167D-01  0.627847D+01  0.785770D+00 -0.289843D+00 -0.354899D+00
      3  -0.511729D+01  0.155996D+00 -0.416553D+01  0.328488D+00  0.358852D+00
               151           152           153           154           155 
      1  -0.551101D-01  0.427728D+00 -0.306348D-01  0.229416D+00  0.452310D+00
      2  -0.238517D+01 -0.380998D-01 -0.595800D+00 -0.445659D+00 -0.409011D+00
      3  -0.790927D+00  0.507813D+00  0.201943D+00 -0.127135D+01 -0.441388D+01
               156           157           158           159           160 
      1  -0.208630D+01 -0.132395D+00  0.169375D+00 -0.357054D+01  0.782470D+00
      2   0.233934D+01  0.193607D+00  0.358159D+00  0.314761D+01 -0.613481D+00
      3   0.167198D-01 -0.336765D+01 -0.125508D+02 -0.505152D+00 -0.298914D+00
               161           162           163           164           165 
      1   0.133860D+01 -0.165469D+00  0.333854D+00 -0.133363D+00  0.167693D+01
      2  -0.507641D+00  0.189431D+00  0.992121D+00 -0.599023D+00  0.189463D+00
      3  -0.131518D+01 -0.316829D+00 -0.717382D+01  0.427550D+01  0.457871D+00
               166           167           168           169           170 
      1  -0.360598D+00  0.746410D+00 -0.358552D+01 -0.408028D+00  0.206309D+01
      2  -0.108682D+01  0.105880D+01 -0.540962D+00 -0.162332D+01  0.185761D+00
      3   0.666216D+01 -0.783105D+01 -0.127800D+01  0.588794D+00 -0.168801D+01
               171 
      1  -0.234655D+00
      2  -0.242726D+00
      3   0.579017D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.177713D+02 -0.260316D+01 -0.126880D+01 -0.553917D+01 -0.235001D+01
      2  -0.797893D+01 -0.285977D+01 -0.274904D+01 -0.123135D+01  0.143684D+02
      3  -0.979237D+01  0.546293D+01  0.401785D+01  0.677052D+01 -0.120184D+02
      4  -0.170329D+02  0.210749D+02 -0.351242D+01  0.274786D+02 -0.268649D+02
      5   0.697286D+01 -0.417836D+01  0.139326D+02 -0.570294D+01  0.686863D+01
      6  -0.306040D+01  0.300140D+01 -0.556338D+01  0.509425D+01 -0.736194D+01
                 6             7             8             9            10 
      1   0.323402D+01  0.845444D+00 -0.442774D+00  0.111568D+02  0.113009D+02
      2  -0.260604D-02  0.129749D+01 -0.280142D+01  0.249988D+01 -0.631070D+01
      3  -0.323141D+01 -0.214293D+01  0.324419D+01 -0.136567D+02 -0.499024D+01
      4   0.706179D+01 -0.576331D+01  0.431958D+01 -0.889588D+01  0.599219D+01
      5  -0.431296D+01  0.129296D+02 -0.641078D+01 -0.172453D+02  0.473714D+01
      6   0.966279D+01 -0.525273D+01  0.593644D+01  0.772724D+01 -0.202548D+01
                11            12            13            14            15 
      1  -0.191654D+01  0.109039D+01 -0.508593D+01 -0.791187D+01  0.101383D+01
      2  -0.759761D+00 -0.204004D+01 -0.121579D+01 -0.104819D+01  0.143884D+01
      3   0.267630D+01  0.949657D+00  0.630171D+01  0.896007D+01 -0.245267D+01
      4  -0.203412D+02  0.718737D+00 -0.315596D+02  0.682342D+00 -0.458732D+01
      5   0.836983D+00 -0.104497D+02  0.368616D+01 -0.397331D+01  0.991918D+01
      6  -0.219965D+01  0.124281D+01 -0.275286D+01  0.202199D+01 -0.623931D+01
                16            17            18            19            20 
      1  -0.100083D+02  0.181401D+01 -0.371623D+00 -0.592299D+00 -0.210683D+01
      2  -0.707864D+01  0.669564D+01  0.114898D+02 -0.472575D+00  0.101687D+01
      3   0.170869D+02 -0.850966D+01 -0.111182D+02  0.106487D+01  0.108997D+01
      4   0.489689D+01 -0.886978D+01  0.155696D+02  0.475494D-01 -0.175394D+01
      5  -0.177774D+02  0.142580D+02  0.282252D+02  0.141096D+01  0.388716D+00
      6   0.823583D+01  0.104961D+00 -0.619961D+01 -0.148753D+00 -0.142263D+01
                21            22            23            24            25 
      1   0.621569D+01 -0.833522D-01 -0.267413D+01 -0.200236D+00  0.581125D+01
      2  -0.288591D+00 -0.903445D+00  0.222289D+01 -0.277996D+01 -0.347902D+01
      3  -0.592710D+01  0.986797D+00  0.451246D+00  0.298020D+01 -0.233223D+01
      4  -0.810246D+00  0.123842D+01 -0.152820D+01  0.211954D+01 -0.551665D+01
      5  -0.380247D+01  0.593631D-01  0.171036D+01  0.157640D+01  0.624948D+01
      6   0.339965D+01  0.515651D+00 -0.160940D+01  0.288290D+01 -0.155446D+01
                26            27            28            29            30 
      1   0.266146D+01 -0.148562D+02  0.539110D+01 -0.911638D+00 -0.437831D+01
      2  -0.117690D+01 -0.914749D+01 -0.655586D+01  0.126027D+01  0.493249D+01
      3  -0.148456D+01  0.240037D+02  0.116476D+01 -0.348627D+00 -0.554179D+00
      4   0.686307D+01 -0.295199D+01 -0.308002D+01  0.696787D+01  0.259350D+01
      5  -0.475776D+01  0.262341D+02 -0.106108D+02  0.253784D+01  0.125234D+02
      6   0.493886D+01 -0.149044D+02  0.271039D+01 -0.328570D+00 -0.136947D+01
                31            32            33            34            35 
      1  -0.210529D+00 -0.228559D+01 -0.259813D+01 -0.312184D+01 -0.331619D+01
      2   0.178274D+01 -0.543842D+00 -0.763279D+00  0.103477D+02 -0.220827D+01
      3  -0.157221D+01  0.282943D+01  0.336141D+01 -0.722583D+01  0.552446D+01
      4   0.103697D+02 -0.588198D+01 -0.586070D+01  0.402843D+01 -0.714646D+01
      5   0.357959D+01 -0.525468D+01 -0.828081D+01  0.198288D+02 -0.844708D+01
      6  -0.202099D+01  0.398621D+01  0.896619D+01 -0.507999D+01  0.567554D+01
                36            37            38            39            40 
      1  -0.104991D+02 -0.537715D+02  0.114848D+01  0.680271D+01  0.153955D+02
      2  -0.165930D+02  0.335872D+02  0.502481D+01 -0.453007D+01 -0.356427D+01
      3   0.270922D+02  0.201843D+02 -0.617329D+01 -0.227263D+01 -0.118312D+02
      4  -0.967944D+01  0.359513D+01  0.186147D+02 -0.103114D+00  0.203320D+02
      5  -0.336380D+02  0.755421D+01 -0.130088D+01  0.837999D+01 -0.124449D+01
      6   0.101976D+02  0.323955D+01 -0.107968D+01  0.593928D+01 -0.392961D+00
                41            42            43            44            45 
      1   0.176388D+02 -0.531785D+01  0.733298D+01 -0.355176D+01  0.171232D+02
      2  -0.752027D+01  0.666209D+01 -0.205574D+01  0.622407D+01 -0.119483D+02
      3  -0.101185D+02 -0.134424D+01 -0.527724D+01 -0.267231D+01 -0.517489D+01
      4   0.249355D+01  0.791555D+01  0.224905D+01  0.942647D+01 -0.163307D+02
      5   0.802084D+01 -0.179749D+02  0.292042D+01 -0.185504D+02 -0.184936D+02
      6   0.866750D+01 -0.116938D+02  0.591390D+00 -0.138145D+02 -0.659153D+01
                46            47            48            49            50 
      1  -0.222079D+02 -0.550898D+00 -0.110330D+01  0.291162D+01 -0.564740D+01
      2   0.729123D+01  0.650425D+00 -0.456091D+00  0.463292D+00  0.115582D+02
      3   0.149166D+02 -0.995269D-01  0.155939D+01 -0.337491D+01 -0.591075D+01
      4  -0.102863D+02  0.674063D+01 -0.320713D+00 -0.982101D+01  0.153312D+01
      5  -0.289028D+01 -0.301615D+00  0.351186D+01 -0.162483D+01  0.524195D+00
      6  -0.106314D+01 -0.468703D+00 -0.205865D+01  0.113865D+01  0.184328D+01
                51            52            53            54            55 
      1  -0.132053D-01  0.476477D+01  0.389433D+00 -0.985983D+01  0.352239D+01
      2   0.202718D+01 -0.202940D+01  0.446872D+00 -0.455877D+01 -0.269911D+01
      3  -0.201397D+01 -0.273537D+01 -0.836305D+00  0.144186D+02 -0.823283D+00
      4   0.925177D+00 -0.579208D+00  0.210914D+01 -0.127177D+01  0.488228D+00
      5  -0.190920D+01  0.369710D+01 -0.148711D+01  0.212830D+00  0.249309D+01
      6  -0.267665D+01  0.212565D+00  0.273804D+01 -0.160174D+01  0.234021D+01
                56            57            58            59            60 
      1   0.233674D+01  0.436056D+01  0.141896D+01 -0.699106D+01 -0.434597D+01
      2  -0.218753D+01 -0.133571D+01  0.928539D-01  0.722877D+01  0.437577D+01
      3  -0.149201D+00 -0.302485D+01 -0.151182D+01 -0.237703D+00 -0.297963D-01
      4  -0.141857D+01  0.179417D+01  0.311116D+01  0.857958D+01  0.545041D+01
      5   0.559444D+00  0.938207D-01  0.111620D+01  0.560544D+01  0.866586D+01
      6  -0.544110D+00 -0.168766D+01  0.859530D+00  0.580535D+01  0.106784D+02
                61            62            63            64            65 
      1   0.768915D+01 -0.402800D+01 -0.127889D+02  0.479196D+00  0.510624D+01
      2  -0.406512D+01  0.395110D+01  0.336171D-01  0.350496D+00 -0.436180D+01
      3  -0.362403D+01  0.768914D-01  0.127553D+02 -0.829691D+00 -0.744443D+00
      4   0.781774D+01  0.103661D+02  0.102349D+02  0.443520D+00 -0.810066D+00
      5   0.666085D+01  0.117337D+02  0.292619D+02 -0.224456D+01  0.107016D+00
      6   0.187931D+01  0.110571D+02  0.190519D+02 -0.269831D+01  0.209917D+01
                66            67            68            69            70 
      1  -0.507566D+01  0.458435D+01 -0.160870D+02  0.880720D+01 -0.615632D+01
      2   0.260200D+01 -0.188017D+01  0.224599D+02 -0.992404D+01  0.277454D+01
      3   0.247367D+01 -0.270417D+01 -0.637288D+01  0.111684D+01  0.338178D+01
      4  -0.110788D+01  0.665211D+01  0.236569D+02 -0.113489D+02 -0.653007D+01
      5  -0.958076D+00 -0.173972D+01 -0.117514D+02  0.121179D+02  0.350322D+01
      6  -0.296666D+01 -0.965086D+00 -0.138268D+02  0.127890D+02  0.843033D+00
                71            72            73            74            75 
      1   0.870433D+01 -0.119695D+02  0.865406D+02  0.769509D+00 -0.531960D+01
      2  -0.905209D+01  0.562724D+01 -0.466721D+02  0.157316D+01  0.346413D+01
      3   0.347755D+00  0.634225D+01 -0.398684D+02 -0.234267D+01  0.185547D+01
      4  -0.146507D+02  0.111934D+02  0.174929D+02  0.103287D+02 -0.110118D+01
      5   0.124522D+02 -0.127665D+02 -0.789254D+01 -0.149604D+00  0.103444D+02
      6   0.134586D+02 -0.131907D+02 -0.189288D+01 -0.361402D+00  0.245398D+01
                76            77            78            79            80 
      1  -0.131803D+02  0.559490D+01  0.120888D+01 -0.592477D+01  0.449179D+00
      2   0.909754D+01 -0.264255D+01 -0.130054D+01  0.393679D+01 -0.109983D+01
      3   0.408277D+01 -0.295235D+01  0.916655D-01  0.198798D+01  0.650653D+00
      4   0.744526D+01 -0.141501D+01 -0.143660D+01 -0.152927D+01 -0.250297D+01
      5   0.885240D+00 -0.165000D+01 -0.853248D+00  0.122625D+02  0.181165D+01
      6  -0.222090D+00 -0.643890D+00  0.166605D+01  0.183446D+01  0.248536D+01
                81            82            83            84            85 
      1   0.607393D+01  0.620087D+01 -0.142107D+02 -0.237044D+01  0.109464D+01
      2  -0.437075D+01 -0.527175D+01  0.105380D+02  0.130349D+01 -0.120404D+02
      3  -0.170317D+01 -0.929118D+00  0.367274D+01  0.106694D+01  0.109458D+02
      4   0.280216D+01 -0.744077D+01 -0.134942D+02  0.387195D+00  0.497571D+01
      5  -0.153387D+01 -0.119790D+01  0.678591D+00 -0.240072D+01  0.609278D+00
      6   0.258168D+00  0.273491D+01  0.150144D+01  0.502762D+01 -0.457667D+01
                86            87            88            89            90 
      1   0.288909D+01  0.136564D+01 -0.874211D+00  0.396023D+01 -0.146338D+02
      2  -0.737027D+01 -0.132159D+01 -0.837810D+00 -0.490437D+01  0.338979D+01
      3   0.448119D+01 -0.440473D-01  0.171202D+01  0.944139D+00  0.112440D+02
      4  -0.133091D+02 -0.148903D+01 -0.782044D+00  0.225113D+01 -0.292974D+01
      5  -0.154136D+01  0.723400D+00  0.314540D+01 -0.320634D+01  0.159866D+01
      6  -0.202006D+01  0.546963D+01  0.426856D+01  0.153899D+02 -0.111338D+01
                91            92            93            94            95 
      1   0.182151D+01  0.193463D+02  0.340003D+00 -0.257884D+02  0.988809D+01
      2  -0.387953D+01 -0.120749D+02 -0.262525D+00  0.239232D+02 -0.149870D+02
      3   0.205802D+01 -0.727137D+01 -0.774780D-01  0.186517D+01  0.509887D+01
      4   0.122367D+02 -0.503424D+01 -0.473497D+01  0.616868D+01  0.827479D+01
      5   0.300028D+01 -0.503558D+01  0.960123D+00 -0.300898D+00  0.367422D+01
      6  -0.493840D+01  0.300465D+01 -0.381141D+01  0.281426D+01 -0.622586D+01
                96            97            98            99           100 
      1   0.175494D+01 -0.960662D+00 -0.293474D+01 -0.424525D+01 -0.122649D+02
      2  -0.427602D+01  0.435117D+01 -0.290539D+01 -0.393204D+01  0.815312D+01
      3   0.252108D+01 -0.339051D+01  0.584013D+01  0.817729D+01  0.411177D+01
      4   0.368079D+01 -0.485662D+01  0.725652D+01 -0.165820D+02  0.181762D+01
      5  -0.906378D+01  0.134601D+02 -0.167336D+02 -0.471166D+01  0.758443D+01
      6   0.482947D+01 -0.756267D+01  0.147700D+02  0.277532D+01  0.708492D+00
               101           102           103           104           105 
      1   0.166954D+01  0.563234D+01 -0.215250D+01 -0.202134D+02 -0.359006D+01
      2  -0.128815D+01 -0.354123D+01  0.154267D+01  0.171733D+02  0.498803D+01
      3  -0.381393D+00 -0.209111D+01  0.609839D+00  0.304013D+01 -0.139798D+01
      4   0.229772D+02  0.803826D+00 -0.194192D+02  0.515739D+01  0.328204D+01
      5   0.754071D+00  0.138399D+02 -0.666058D+01  0.273928D+01  0.723464D-01
      6  -0.752336D+00 -0.102359D+01  0.308465D+01  0.161123D+01 -0.334122D+01
               106           107           108           109           110 
      1   0.907083D+01 -0.439992D+01  0.158203D+02  0.259827D+01 -0.208553D+02
      2  -0.354684D+01  0.363595D+01 -0.189785D+02 -0.532811D+01  0.117173D+02
      3  -0.552399D+01  0.763963D+00  0.315824D+01  0.272984D+01  0.913804D+01
      4  -0.715733D+01 -0.918508D+00 -0.800319D+00 -0.177742D+02  0.425919D+00
      5   0.365566D+02 -0.258651D+00 -0.431563D+01 -0.118909D+00  0.410538D+01
      6  -0.950208D+00  0.366089D+01 -0.204267D+01  0.259893D+01  0.261057D+01
               111           112           113           114           115 
      1  -0.306604D+01  0.256885D+02  0.625059D+01  0.975345D-01  0.527479D+01
      2   0.492020D+00 -0.243977D+02 -0.116916D+02 -0.974871D-01 -0.562748D+01
      3   0.257402D+01 -0.129081D+01  0.544097D+01 -0.473899D-04  0.352692D+00
      4   0.392506D+01  0.329429D+01 -0.146816D+02 -0.530040D+01  0.217366D+01
      5   0.431564D+01 -0.253549D+01 -0.482587D+01  0.899149D+01  0.175837D+02
      6   0.483676D+01 -0.418892D+01 -0.283760D+01  0.490056D+01  0.877525D+01
               116           117           118           119           120 
      1   0.521671D+01 -0.861951D-01  0.807781D+01  0.109629D+02 -0.176338D+00
      2  -0.573305D+01 -0.617768D+01 -0.600334D+01 -0.777841D+01  0.959615D+00
      3   0.516331D+00  0.626387D+01 -0.207448D+01 -0.318446D+01 -0.783276D+00
      4  -0.466805D+01  0.159206D+02  0.111979D+02 -0.169722D+02 -0.261649D+01
      5   0.165508D+02  0.400909D+01  0.113777D+00 -0.282814D+01 -0.337214D+01
      6   0.134815D+02 -0.184626D+01 -0.199163D+01  0.149575D+01 -0.311389D+01
               121           122           123           124           125 
      1  -0.217511D+01  0.718485D+01  0.368776D+01 -0.154472D+01 -0.338312D+00
      2   0.989250D+01 -0.117931D+02 -0.409792D+01  0.337741D+01 -0.398346D+01
      3  -0.771739D+01  0.460829D+01  0.410165D+00 -0.183269D+01  0.432177D+01
      4   0.101830D+02  0.136180D+02  0.165700D+01  0.150931D+01  0.367822D+01
      5   0.960936D+00  0.152907D+01  0.539710D+00 -0.300709D+00  0.489436D+01
      6   0.361167D+01 -0.624501D+01  0.471032D+01 -0.435533D+01  0.147138D+02
               126           127           128           129           130 
      1  -0.158771D+02 -0.262599D+01 -0.615119D+01 -0.658116D-01 -0.784451D+01
      2   0.248966D+01  0.561789D+01  0.929287D+01  0.235792D+00  0.115186D+02
      3   0.133875D+02 -0.299190D+01 -0.314168D+01 -0.169980D+00 -0.367414D+01
      4   0.511960D+01  0.860416D+01  0.764114D+01  0.350140D+00  0.726550D+01
      5   0.428781D+01  0.391016D+00  0.524812D+00  0.735446D+00  0.514781D+00
      6   0.488654D+01 -0.301568D+00 -0.106527D+00  0.133542D+01  0.619607D+00
               131           132           133           134           135 
      1  -0.241518D+02 -0.128718D+01 -0.878174D+00 -0.168539D+01 -0.975548D+00
      2   0.333876D+02  0.122190D+01  0.850151D+00  0.221260D+01  0.130477D+01
      3  -0.923576D+01  0.652825D-01  0.280231D-01 -0.527203D+00 -0.329218D+00
      4   0.642201D+01  0.287098D+00  0.341451D+00 -0.278947D+00  0.124665D+01
      5   0.931264D+00  0.742415D+00  0.443412D+00  0.817789D+00 -0.300077D-01
      6   0.138546D+01  0.483296D+01  0.586025D+00  0.164670D+01  0.526884D+00
               136           137           138           139           140 
      1   0.833166D+01 -0.688763D+01 -0.948452D+00 -0.817251D+00 -0.107853D+02
      2   0.269593D+01 -0.478556D+01 -0.129274D+00 -0.117820D+02  0.335902D+02
      3  -0.110276D+02  0.116732D+02  0.107773D+01  0.125993D+02 -0.228049D+02
      4  -0.234956D+02  0.267292D+02  0.410102D+01  0.284486D+02 -0.499278D+02
      5  -0.346235D+01  0.367001D+01  0.459837D+01  0.353942D+01 -0.564917D+01
      6   0.269538D+01 -0.304692D+01 -0.286664D+01 -0.372988D+01  0.787226D+01
               141           142           143           144           145 
      1  -0.163660D+01 -0.729683D+00 -0.745466D+00 -0.121541D+01  0.102325D+03
      2   0.320181D+01 -0.128467D+01  0.357800D+01  0.199267D+01 -0.590048D+02
      3  -0.156521D+01  0.201435D+01 -0.283253D+01 -0.777257D+00 -0.433200D+02
      4  -0.655885D+01  0.520698D+01 -0.768656D+01 -0.301070D+01 -0.604766D+01
      5  -0.528272D+01  0.187007D+01 -0.233527D+01 -0.138971D+01 -0.102904D+02
      6   0.732553D+01 -0.194762D+01  0.380695D+01  0.189017D+01 -0.116424D+01
               146           147           148           149           150 
      1  -0.293076D+01 -0.728411D+01 -0.262172D+01  0.982617D+01  0.896739D+00
      2   0.142769D+01  0.500709D+01  0.111696D+01 -0.506976D+01 -0.755269D+00
      3   0.150307D+01  0.227702D+01  0.150476D+01 -0.475641D+01 -0.141470D+00
      4   0.844611D+01  0.294348D+00  0.155480D+02 -0.154542D+01 -0.125956D+01
      5   0.132331D+00  0.107173D+02  0.165859D+01 -0.115698D+01 -0.545707D+00
      6  -0.486089D+00 -0.185264D+00 -0.931140D+00 -0.139383D+00  0.156940D+01
               151           152           153           154           155 
      1  -0.932742D+01  0.991011D+00  0.392137D+01  0.157054D+02  0.111134D+02
      2   0.565641D+01 -0.697643D+00 -0.259618D+01 -0.535795D+00  0.308130D+01
      3   0.367101D+01 -0.293368D+00 -0.132519D+01 -0.151696D+02 -0.141947D+02
      4   0.197772D+01 -0.987111D+00 -0.514842D+00  0.294787D+02  0.301219D+02
      5   0.417712D+01 -0.343682D+00 -0.211567D+01  0.193697D+01  0.144110D+01
      6  -0.131708D+00  0.805308D+00  0.249850D+00  0.376261D+00  0.218864D+00
               156           157           158           159           160 
      1   0.662201D+00  0.539755D+01 -0.170938D+01  0.946518D-01 -0.736492D+00
      2  -0.195508D+00  0.953760D+01  0.241505D+02  0.492448D+00  0.103693D+01
      3  -0.466693D+00 -0.149352D+02 -0.224411D+02 -0.587100D+00 -0.300437D+00
      4   0.100671D+01  0.327836D+02  0.487128D+02  0.279876D+01  0.130002D+01
      5   0.480630D+01  0.286271D+01  0.370509D+01  0.508154D+01  0.173791D+01
      6   0.279226D+01  0.157040D+01  0.228501D+01  0.583093D+01  0.157469D+01
               161           162           163           164           165 
      1  -0.866072D+00 -0.659788D+00 -0.545872D+01  0.822401D+01  0.210441D+01
      2   0.171755D+01  0.133604D+01  0.644443D+01 -0.102629D+02 -0.154425D+01
      3  -0.851478D+00 -0.676256D+00 -0.985705D+00  0.203891D+01 -0.560161D+00
      4   0.265072D+01  0.270177D+01 -0.507297D+01  0.662669D+01  0.109781D+01
      5   0.183973D+01  0.484810D+00 -0.373447D+00  0.823392D+00  0.108369D+01
      6   0.279354D+01  0.755635D+00  0.188067D+01 -0.313523D+01 -0.238117D+01
               166           167           168           169           170 
      1   0.823150D+01 -0.297125D+02 -0.501564D+01  0.139763D+01 -0.372142D+01
      2  -0.104006D+02  0.390209D+02  0.459799D+01 -0.169955D+01  0.425696D+01
      3   0.216906D+01 -0.930844D+01  0.417642D+00  0.301918D+00 -0.535534D+00
      4   0.536378D+01 -0.281218D+01 -0.223211D+00  0.121326D+01 -0.121189D+01
      5   0.336674D+00  0.494364D+00 -0.206949D+00  0.910315D+00 -0.663383D+00
      6  -0.241450D+01  0.819716D+01  0.669669D+01 -0.802157D+00  0.322151D+01
               171 
      1  -0.196372D+01
      2   0.223275D+01
      3  -0.269034D+00
      4  -0.182129D+01
      5  -0.960889D+00
      6   0.193638D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.564733D+00      0.143541D+01      0.478801D+01
   x         -0.294882D+00     -0.749515D+00     -0.250011D+01
   y          0.452113D+00      0.114916D+01      0.383318D+01
   z          0.166018D+00      0.421975D+00      0.140756D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947761D+02      0.140444D+02      0.156265D+02
   aniso      0.500859D+02      0.742196D+01      0.825805D+01
   xx         0.120305D+03      0.178273D+02      0.198356D+02
   yx         0.144257D+01      0.213768D+00      0.237848D+00
   yy         0.100120D+03      0.148362D+02      0.165075D+02
   zx        -0.312062D+01     -0.462429D+00     -0.514521D+00
   zy         0.277415D+01      0.411086D+00      0.457395D+00
   zz         0.639037D+02      0.946955D+01      0.105363D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.101863D+03      0.150945D+02      0.167949D+02
   aniso      0.538429D+02      0.797870D+01      0.887750D+01
   xx         0.129858D+03      0.192430D+02      0.214108D+02
   yx         0.116422D+01      0.172520D+00      0.191955D+00
   yy         0.106870D+03      0.158366D+02      0.176206D+02
   zx        -0.288642D+01     -0.427723D+00     -0.475906D+00
   zy         0.276550D+01      0.409805D+00      0.455970D+00
   zz         0.688597D+02      0.102040D+02      0.113534D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8          2.91630733         -0.54809632         -3.75648775
     6          2.03584781          1.37546607         -2.06379319
     1          3.48471282         -1.96037188         -2.75312639
     1          1.12312838          2.74113870         -3.31901559
     6          4.25077228          2.67799289         -0.77245184
     6          0.03477746          0.32698751         -0.29086232
     1          5.21797949          1.39477620          0.52446011
     1          3.64220597          4.33616565          0.29163633
     1          5.59685222          3.28687707         -2.20588407
     6          0.02233634          0.79733187          2.29921841
     6         -1.86192073         -0.20086528          3.83961783
     6         -3.76341492         -1.68288336          2.80933192
     6         -3.77180702         -2.16364185          0.22373567
     6         -1.89302783         -1.16613933         -1.30662714
     1          1.48516440          1.94665457          3.14284151
     1         -1.83517165          0.18321237          5.84889601
     1         -5.22840408         -2.45955908          4.00686284
     1         -5.24927065         -3.31489933         -0.59936625
     1         -1.88903025         -1.55472256         -3.31441121

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.564733D+00      0.143541D+01      0.478801D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.564733D+00      0.143541D+01      0.478801D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947761D+02      0.140444D+02      0.156265D+02
   aniso      0.500859D+02      0.742196D+01      0.825805D+01
   xx         0.101919D+03      0.151029D+02      0.168043D+02
   yx         0.224706D+02      0.332980D+01      0.370490D+01
   yy         0.788575D+02      0.116855D+02      0.130018D+02
   zx        -0.116601D+02     -0.172784D+01     -0.192248D+01
   zy         0.214415D+01      0.317730D+00      0.353522D+00
   zz         0.103551D+03      0.153447D+02      0.170733D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.101863D+03      0.150945D+02      0.167949D+02
   aniso      0.538429D+02      0.797870D+01      0.887750D+01
   xx         0.109975D+03      0.162967D+02      0.181325D+02
   yx         0.236871D+02      0.351007D+01      0.390548D+01
   yy         0.845455D+02      0.125284D+02      0.139397D+02
   zx        -0.132338D+02     -0.196104D+01     -0.218195D+01
   zy         0.221937D+01      0.328876D+00      0.365924D+00
   zz         0.111068D+03      0.164585D+02      0.183126D+02

 ----------------------------------------------------------------------
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      LET US REMEMBER, PLEASE, THAT THE SEARCH FOR THE CONSTITUTION
      OF THE WORLD IS ONE OF THE GREATEST AND NOBLEST PROBLEMS PRESENTED 
      BY NATURE.

                                                  -- GALILEO
 Job cpu time:       0 days  1 hours 52 minutes 33.2 seconds.
 Elapsed time:       0 days  0 hours 14 minutes  6.2 seconds.
 File lengths (MBytes):  RWF=    227 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:52:43 2021.
